1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone

C12H22N2O2 — CID 61409850

IUPAC1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone
SMILESO=C(CC1CCCCN1)N1CCCC1CO
InChIInChI=1S/C12H22N2O2/c15-9-11-5-3-7-14(11)12(16)8-10-4-1-2-6-13-10/h10-11,13,15H,1-9H2
InChIKeyIJDMKYROZSDPNM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds3

About 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone (PubChem CID 61409850) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone
PubChem CID61409850
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone
SMILESO=C(CC1CCCCN1)N1CCCC1CO
InChIInChI=1S/C12H22N2O2/c15-9-11-5-3-7-14(11)12(16)8-10-4-1-2-6-13-10/h10-11,13,15H,1-9H2
InChIKeyIJDMKYROZSDPNM-UHFFFAOYSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107218090
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119757583
1-(2-methylpiperidin-1-yl)-2-piperidin-2-ylethanone
CID 43151335
[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
CID 119765949
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
1-(2-cyclopentylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119744515
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
N-methyl-1-(2-piperidin-2-ylacetyl)piperidine-2-carboxamide
CID 54989662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone (CID 61409850) is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone is O=C(CC1CCCCN1)N1CCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone?
The InChIKey is IJDMKYROZSDPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-9-11-5-3-7-14(11)12(16)8-10-4-1-2-6-13-10/h10-11,13,15H,1-9H2.
What are the key properties of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone?
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone is sourced from PubChem (CID 61409850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).