Chemical ID: 6687669

CC(Cc1ccc(cc1)C(C)(C)C)CN2CCCCC2
Chemical ID:
6687669
Name [?]:
1-[2-methyl-3-(4-tert-butylphenyl)-propyl]piperidine
SMILES [?]:
CC(Cc1ccc(cc1)C(C)(C)C)CN2CCCCC2
InChi [?]:
InChI=1/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,12,13,18,17,19,5,9,6,8,16,20,3,14,2,4,7,10,15/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:20cCCCCCCCCCCCCCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;s10;s2;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31N
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.5348
Area:500.07
Solvation:-0.966897
Coulombic:-8.44144
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:273.456
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.27
LogP (Chemaxon):5.33

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Descriptor Annotations

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