3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane

C18H37N — CID 143483566

IUPAC3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane
SMILESCC.CC1CCC(N2CCCC(C)(C)C2)CC1(C)C
InChIInChI=1S/C16H31N.C2H6/c1-13-7-8-14(11-16(13,4)5)17-10-6-9-15(2,3)12-17;1-2/h13-14H,6-12H2,1-5H3;1-2H3
InChIKeyDCOLVUHTDDKHCR-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.35
Rot. Bonds1

About 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane

3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane (PubChem CID 143483566) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane.

Molecular Properties

Compound Name3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane
PubChem CID143483566
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane
SMILESCC.CC1CCC(N2CCCC(C)(C)C2)CC1(C)C
InChIInChI=1S/C16H31N.C2H6/c1-13-7-8-14(11-16(13,4)5)17-10-6-9-15(2,3)12-17;1-2/h13-14H,6-12H2,1-5H3;1-2H3
InChIKeyDCOLVUHTDDKHCR-UHFFFAOYSA-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

3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 160999736
3,3-dimethyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735226
4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 161450829
3-(3,3-dimethylpiperidin-1-yl)cyclobutan-1-amine
CID 80561996
4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 159846616
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
3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine
CID 167637218
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate
CID 171846998

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane?
The IUPAC name of 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane (CID 143483566) is 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane.
What is the SMILES notation for 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane?
The canonical SMILES for 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane is CC.CC1CCC(N2CCCC(C)(C)C2)CC1(C)C.
What is the InChIKey of 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane?
The InChIKey is DCOLVUHTDDKHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N.C2H6/c1-13-7-8-14(11-16(13,4)5)17-10-6-9-15(2,3)12-17;1-2/h13-14H,6-12H2,1-5H3;1-2H3.
What are the key properties of 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane?
3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane 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 3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane is sourced from PubChem (CID 143483566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).