[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C16H22N2O2 — CID 79546610

IUPAC[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1C1CCCCC1O
InChIInChI=1S/C16H22N2O2/c19-15-6-2-1-4-13(15)14-5-3-11-18(14)16(20)12-7-9-17-10-8-12/h7-10,13-15,19H,1-6,11H2
InChIKeyQQFHCBQBKGDDRH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.24
Rot. Bonds2

About [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 79546610) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID79546610
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1C1CCCCC1O
InChIInChI=1S/C16H22N2O2/c19-15-6-2-1-4-13(15)14-5-3-11-18(14)16(20)12-7-9-17-10-8-12/h7-10,13-15,19H,1-6,11H2
InChIKeyQQFHCBQBKGDDRH-UHFFFAOYSA-N
XLogP2.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
1-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 129480937
[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-phenylmethanone
CID 5338329
(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
CID 128964092
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 128965499
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79544381
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 79545074
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 79545297
[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 129447569
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 79546610) is [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC1C1CCCCC1O.
What is the InChIKey of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is QQFHCBQBKGDDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-6-2-1-4-13(15)14-5-3-11-18(14)16(20)12-7-9-17-10-8-12/h7-10,13-15,19H,1-6,11H2.
What are the key properties of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 274.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 79546610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).