3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane

C19H39N — CID 160999736

IUPAC3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
SMILESCCC.C[C@H]1CC[C@@H](N2CCCC(C)(C)C2)CC1(C)C
InChIInChI=1S/C16H31N.C3H8/c1-13-7-8-14(11-16(13,4)5)17-10-6-9-15(2,3)12-17;1-3-2/h13-14H,6-12H2,1-5H3;3H2,1-2H3/t13-,14+;/m0./s1
InChIKeyTVSAKOOYKWWZJL-LMRHVHIWSA-N
MW281.53 g/mol
LogP5.74
Rot. Bonds1

About 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane

3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane (PubChem CID 160999736) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane.

Molecular Properties

Compound Name3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
PubChem CID160999736
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
SMILESCCC.C[C@H]1CC[C@@H](N2CCCC(C)(C)C2)CC1(C)C
InChIInChI=1S/C16H31N.C3H8/c1-13-7-8-14(11-16(13,4)5)17-10-6-9-15(2,3)12-17;1-3-2/h13-14H,6-12H2,1-5H3;3H2,1-2H3/t13-,14+;/m0./s1
InChIKeyTVSAKOOYKWWZJL-LMRHVHIWSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane
CID 143483566
4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 161450829
4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 159846616
3,3-dimethyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735226
3-(3,3-dimethylpiperidin-1-yl)cyclobutan-1-amine
CID 80561996
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641849
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625967
methyl 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645176
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine
CID 171846999
2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 65281267
1-(3,3-dimethylcyclopentyl)-3-ethyl-3-methylpiperazine
CID 114551192

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The IUPAC name of 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane (CID 160999736) is 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane.
What is the SMILES notation for 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The canonical SMILES for 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane is CCC.C[C@H]1CC[C@@H](N2CCCC(C)(C)C2)CC1(C)C.
What is the InChIKey of 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The InChIKey is TVSAKOOYKWWZJL-LMRHVHIWSA-N. The full InChI is InChI=1S/C16H31N.C3H8/c1-13-7-8-14(11-16(13,4)5)17-10-6-9-15(2,3)12-17;1-3-2/h13-14H,6-12H2,1-5H3;3H2,1-2H3/t13-,14+;/m0./s1.
What are the key properties of 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane has a molecular weight of 281.53 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane is sourced from PubChem (CID 160999736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).