(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C17H25ClN2O — CID 119320187

IUPAC(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O.ClH/c20-17(16-9-4-10-18-16)19-11-5-8-15(13-19)12-14-6-2-1-3-7-14;/h1-3,6-7,15-16,18H,4-5,8-13H2;1H
InChIKeyDALKMIWFSORTDR-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.64
Rot. Bonds3

About (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119320187) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119320187
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O.ClH/c20-17(16-9-4-10-18-16)19-11-5-8-15(13-19)12-14-6-2-1-3-7-14;/h1-3,6-7,15-16,18H,4-5,8-13H2;1H
InChIKeyDALKMIWFSORTDR-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012
4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
CID 136514886
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119336588
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 174487902
3-phenyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119306810
benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate
CID 67755202

Frequently Asked Questions

What is the IUPAC name of (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 119320187) is (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is Cl.O=C(C1CCCN1)N1CCCC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is DALKMIWFSORTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c20-17(16-9-4-10-18-16)19-11-5-8-15(13-19)12-14-6-2-1-3-7-14;/h1-3,6-7,15-16,18H,4-5,8-13H2;1H.
What are the key properties of (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119320187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).