1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine

C17H32N2 — CID 64755585

IUPAC1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
SMILESCC1CCCC(N2CCC(C3CCCN3)CC2)C1C
InChIInChI=1S/C17H32N2/c1-13-5-3-7-17(14(13)2)19-11-8-15(9-12-19)16-6-4-10-18-16/h13-18H,3-12H2,1-2H3
InChIKeyRTQFTCDLDOQLIU-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.28
Rot. Bonds2

About 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine

1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 64755585) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
PubChem CID64755585
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
SMILESCC1CCCC(N2CCC(C3CCCN3)CC2)C1C
InChIInChI=1S/C17H32N2/c1-13-5-3-7-17(14(13)2)19-11-8-15(9-12-19)16-6-4-10-18-16/h13-18H,3-12H2,1-2H3
InChIKeyRTQFTCDLDOQLIU-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine
CID 114080199
1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane
CID 64942536
1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine
CID 81468220
6-methyl-2-(5-methylcyclononyl)azonane
CID 146602825
(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 160750603
2-[1-(2,3-dimethylcyclohexyl)piperidin-4-yl]ethanamine
CID 64755587
2-cyclopentylpyrrolidine
CID 4031549
1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
CID 63259630
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714170
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
CID 79927218

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine (CID 64755585) is 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine is CC1CCCC(N2CCC(C3CCCN3)CC2)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is RTQFTCDLDOQLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13-5-3-7-17(14(13)2)19-11-8-15(9-12-19)16-6-4-10-18-16/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine?
1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 264.46 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 64755585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).