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

C18H37N — CID 161450829

IUPAC4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
SMILESCC1CCN([C@@H]2CC[C@H](C)C(C)(C)C2)CC1.CCC
InChIInChI=1S/C15H29N.C3H8/c1-12-7-9-16(10-8-12)14-6-5-13(2)15(3,4)11-14;1-3-2/h12-14H,5-11H2,1-4H3;3H2,1-2H3/t13-,14+;/m0./s1
InChIKeyWAMVDPBMDUPUHM-LMRHVHIWSA-N
MW267.50 g/mol
LogP5.35
Rot. Bonds1

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

4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane (PubChem CID 161450829) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane.

Molecular Properties

Compound Name4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
PubChem CID161450829
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
SMILESCC1CCN([C@@H]2CC[C@H](C)C(C)(C)C2)CC1.CCC
InChIInChI=1S/C15H29N.C3H8/c1-12-7-9-16(10-8-12)14-6-5-13(2)15(3,4)11-14;1-3-2/h12-14H,5-11H2,1-4H3;3H2,1-2H3/t13-,14+;/m0./s1
InChIKeyWAMVDPBMDUPUHM-LMRHVHIWSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 159846616
1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971558
3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 160999736
3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane
CID 143483566
1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971560
4,4-dimethyl-1-(4-methylcyclohexyl)piperidine
CID 20761841
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
3-(4-methylpiperidin-1-yl)cyclopentan-1-amine
CID 79465982
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine
CID 171846999
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane
CID 79678092

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The IUPAC name of 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane (CID 161450829) is 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane.
What is the SMILES notation for 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The canonical SMILES for 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane is CC1CCN([C@@H]2CC[C@H](C)C(C)(C)C2)CC1.CCC.
What is the InChIKey of 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The InChIKey is WAMVDPBMDUPUHM-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H29N.C3H8/c1-12-7-9-16(10-8-12)14-6-5-13(2)15(3,4)11-14;1-3-2/h12-14H,5-11H2,1-4H3;3H2,1-2H3/t13-,14+;/m0./s1.
What are the key properties of 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane has a molecular weight of 267.50 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane is sourced from PubChem (CID 161450829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).