3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine

C16H30N2O — CID 66274061

IUPAC3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine
SMILESCOC1CCCC(N2CCCC2C2CCCNC2)C1
InChIInChI=1S/C16H30N2O/c1-19-15-7-2-6-14(11-15)18-10-4-8-16(18)13-5-3-9-17-12-13/h13-17H,2-12H2,1H3
InChIKeyHTRQOKWWHLSNCG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds3

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

3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine (PubChem CID 66274061) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine
PubChem CID66274061
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine
SMILESCOC1CCCC(N2CCCC2C2CCCNC2)C1
InChIInChI=1S/C16H30N2O/c1-19-15-7-2-6-14(11-15)18-10-4-8-16(18)13-5-3-9-17-12-13/h13-17H,2-12H2,1H3
InChIKeyHTRQOKWWHLSNCG-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclohexylpyrrolidin-2-yl)piperidine
CID 66272789
3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
CID 66272572
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide
CID 66272792
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine
CID 114624375
3-methoxypiperidine;hydrochloride
CID 23142000
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
tert-butyl (2S)-1-(3-methoxycyclohexyl)pyrrolidine-2-carboxylate
CID 115537264
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494
(3S)-3-methoxypiperidine;sulfane;hydrochloride
CID 157461038

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine (CID 66274061) is 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine is COC1CCCC(N2CCCC2C2CCCNC2)C1.
What is the InChIKey of 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine?
The InChIKey is HTRQOKWWHLSNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-19-15-7-2-6-14(11-15)18-10-4-8-16(18)13-5-3-9-17-12-13/h13-17H,2-12H2,1H3.
What are the key properties of 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine?
3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 66274061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).