Chemical ID: 4440823

CC1CCCN(C1)CCCOc2ccccc2F
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

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Descriptor Annotations

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