[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

C12H22N2O2 — CID 121201689

IUPAC[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCC(O)C1CCCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C12H22N2O2/c1-9(15)11-3-2-6-14(8-11)12(16)10-4-5-13-7-10/h9-11,13,15H,2-8H2,1H3
InChIKeyBSQWMMMWVOWQSO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds2

About [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 121201689) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID121201689
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCC(O)C1CCCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C12H22N2O2/c1-9(15)11-3-2-6-14(8-11)12(16)10-4-5-13-7-10/h9-11,13,15H,2-8H2,1H3
InChIKeyBSQWMMMWVOWQSO-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129494555
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 109480175
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (CID 121201689) is [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is CC(O)C1CCCN(C(=O)C2CCNC2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is BSQWMMMWVOWQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(15)11-3-2-6-14(8-11)12(16)10-4-5-13-7-10/h9-11,13,15H,2-8H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 121201689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).