(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride

C22H27ClN2O — CID 154900279

IUPAC(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H26N2O.ClH/c25-21(20-13-7-15-23-20)24-16-8-14-22(17-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,20,23H,7-8,13-17H2;1H/t20-;/m0./s1
InChIKeyCOGSQAGDYLHZNM-BDQAORGHSA-N
MW370.92 g/mol
LogP3.77
Rot. Bonds3

About (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride

(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 154900279) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
PubChem CID154900279
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H26N2O.ClH/c25-21(20-13-7-15-23-20)24-16-8-14-22(17-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,20,23H,7-8,13-17H2;1H/t20-;/m0./s1
InChIKeyCOGSQAGDYLHZNM-BDQAORGHSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119325537
(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 119337174
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
CID 97134489
(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
CID 125170830
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 166599615
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (CID 154900279) is (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is Cl.O=C([C@@H]1CCCN1)N1CCCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is COGSQAGDYLHZNM-BDQAORGHSA-N. The full InChI is InChI=1S/C22H26N2O.ClH/c25-21(20-13-7-15-23-20)24-16-8-14-22(17-24,18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,20,23H,7-8,13-17H2;1H/t20-;/m0./s1.
What are the key properties of (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 154900279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).