1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine

C14H27N — CID 70971560

IUPAC1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
SMILESCC1CCN([C@H]2CCCC(C)(C)C2)CC1
InChIInChI=1S/C14H27N/c1-12-6-9-15(10-7-12)13-5-4-8-14(2,3)11-13/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeySJYRQXBOLUHBIH-ZDUSSCGKSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds1

About 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine

1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine (PubChem CID 70971560) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
PubChem CID70971560
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
SMILESCC1CCN([C@H]2CCCC(C)(C)C2)CC1
InChIInChI=1S/C14H27N/c1-12-6-9-15(10-7-12)13-5-4-8-14(2,3)11-13/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeySJYRQXBOLUHBIH-ZDUSSCGKSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine
CID 14553998
1-(3,3-dimethylcyclohexyl)azetidin-3-amine
CID 65244920
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
4,4-dimethyl-1-(4-methylcyclohexyl)piperidine
CID 20761841
2-[4-(3,3-dimethylcyclohexyl)-1,4-diazepan-1-yl]acetic acid
CID 65061888
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane
CID 79678092
4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 161450829
1-(4,4-dimethylcycloheptyl)-N,4-dimethylpiperidin-4-amine
CID 113282880

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine?
The IUPAC name of 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine (CID 70971560) is 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine is CC1CCN([C@H]2CCCC(C)(C)C2)CC1.
What is the InChIKey of 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine?
The InChIKey is SJYRQXBOLUHBIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N/c1-12-6-9-15(10-7-12)13-5-4-8-14(2,3)11-13/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine?
1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine has a molecular weight of 209.38 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine is sourced from PubChem (CID 70971560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).