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Chemical ID: 4666002
Chemical ID:
4666002
Name [?]:
2-methyl-4-phenyl-1-tert-butyl-piperidine
SMILES [?]:
CC1CC(CCN1C(C)(C)C)c2ccccc2
InChi [?]:
InChI=1/C16H25N/c1-13-12-15(14-8-6-5-7-9-14)10-11-17(13)16(2,3)4/h5-9,13,15H,10-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,10,11,15,14,16,13,17,5,6,3,2,12,4,8,7/E:(2,3,4)(6,7)(8,9)/rA:17cCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s8;s8;s4;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.32958 |
Area: | 414.068 |
Solvation: | -1.02211 |
Coulombic: | -7.4668 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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