1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one

C14H26N2O2 — CID 114797531

IUPAC1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)N1CCC(CCO)C1
InChIInChI=1S/C14H26N2O2/c17-10-7-12-6-9-16(11-12)14(18)5-4-13-3-1-2-8-15-13/h12-13,15,17H,1-11H2
InChIKeyHGSRLIKLSSFNNM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one

1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one (PubChem CID 114797531) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one
PubChem CID114797531
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)N1CCC(CCO)C1
InChIInChI=1S/C14H26N2O2/c17-10-7-12-6-9-16(11-12)14(18)5-4-13-3-1-2-8-15-13/h12-13,15,17H,1-11H2
InChIKeyHGSRLIKLSSFNNM-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-piperidin-2-ylpropanoyl)azetidin-3-yl]acetic acid
CID 64605626
1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 106668830
1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 102957327
1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 114236996
N,N-dimethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-1-carboxamide
CID 62211785
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 114797505
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 114797469
3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile
CID 115348003
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one (CID 114797531) is 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one is O=C(CCC1CCCCN1)N1CCC(CCO)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one?
The InChIKey is HGSRLIKLSSFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-10-7-12-6-9-16(11-12)14(18)5-4-13-3-1-2-8-15-13/h12-13,15,17H,1-11H2.
What are the key properties of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one?
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 114797531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).