3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine

C16H30N2 — CID 66272572

IUPAC3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
SMILESCC1CCC(N2CCCC2C2CCCNC2)CC1
InChIInChI=1S/C16H30N2/c1-13-6-8-15(9-7-13)18-11-3-5-16(18)14-4-2-10-17-12-14/h13-17H,2-12H2,1H3
InChIKeyDKOTUWCSLJJIMM-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds2

About 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine

3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine (PubChem CID 66272572) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
PubChem CID66272572
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
SMILESCC1CCC(N2CCCC2C2CCCNC2)CC1
InChIInChI=1S/C16H30N2/c1-13-6-8-15(9-7-13)18-11-3-5-16(18)14-4-2-10-17-12-14/h13-17H,2-12H2,1H3
InChIKeyDKOTUWCSLJJIMM-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclohexylpyrrolidin-2-yl)piperidine
CID 66272789
3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide
CID 66272792
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494
3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine
CID 66274061
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine
CID 114624375
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
5-(2-cyclopentylpyrrolidin-1-yl)-2-methylpiperidine
CID 63155886
4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294
3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977614

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine (CID 66272572) is 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine is CC1CCC(N2CCCC2C2CCCNC2)CC1.
What is the InChIKey of 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine?
The InChIKey is DKOTUWCSLJJIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13-6-8-15(9-7-13)18-11-3-5-16(18)14-4-2-10-17-12-14/h13-17H,2-12H2,1H3.
What are the key properties of 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine?
3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 66272572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).