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Chemical ID: 4440823
Chemical ID:
4440823
Name [?]:
1-[3-(2-fluorophenoxy)propyl]-3-methyl-piperidine
SMILES [?]:
CC1CCCN(C1)CCCOc2ccccc2F
InChi [?]:
InChI=1/C15H22FNO/c1-13-6-4-9-17(12-13)10-5-11-18-15-8-3-2-7-14(15)16/h2-3,7-8,13H,4-6,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,4,9,3,16,13,5,8,10,7,2,17,12,18,6,11/rA:18cCCCCCNCCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.72301 |
Area: | 451.7 |
Solvation: | -3.5695 |
Coulombic: | -17.7619 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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