2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one

C21H32N2O2 — CID 110023755

IUPAC2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(O)C1CCN(C(=O)C(C)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H32N2O2/c1-16(21(25)23-13-10-20(15-23)17(2)24)22-11-8-19(9-12-22)14-18-6-4-3-5-7-18/h3-7,16-17,19-20,24H,8-15H2,1-2H3
InChIKeyFDQYDYKZJHGOAS-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.56
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one

2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110023755) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID110023755
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(O)C1CCN(C(=O)C(C)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H32N2O2/c1-16(21(25)23-13-10-20(15-23)17(2)24)22-11-8-19(9-12-22)14-18-6-4-3-5-7-18/h3-7,16-17,19-20,24H,8-15H2,1-2H3
InChIKeyFDQYDYKZJHGOAS-UHFFFAOYSA-N
XLogP2.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540343
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(3R)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 100840635
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119396797
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 55832301
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9445663

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one (CID 110023755) is 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one is CC(O)C1CCN(C(=O)C(C)N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FDQYDYKZJHGOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(21(25)23-13-10-20(15-23)17(2)24)22-11-8-19(9-12-22)14-18-6-4-3-5-7-18/h3-7,16-17,19-20,24H,8-15H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 344.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110023755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).