Chemical ID: 4666002

CC1CC(CCN1C(C)(C)C)c2ccccc2
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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