1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride

C20H31ClN2O — CID 119703057

IUPAC1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCC(c2ccccc2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-16(17-7-11-21-12-8-17)15-20(23)22-13-9-19(10-14-22)18-5-3-2-4-6-18;/h2-6,16-17,19,21H,7-15H2,1H3;1H
InChIKeyGUTJCIJCTLAAHZ-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride

1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride (PubChem CID 119703057) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
PubChem CID119703057
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCC(c2ccccc2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-16(17-7-11-21-12-8-17)15-20(23)22-13-9-19(10-14-22)18-5-3-2-4-6-18;/h2-6,16-17,19,21H,7-15H2,1H3;1H
InChIKeyGUTJCIJCTLAAHZ-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenoxypiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119725118
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
CID 119692632
1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119790946
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119751371
1-(4-benzylsulfonylpiperazin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119687248
1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one
CID 119768937
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride (CID 119703057) is 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride is CC(CC(=O)N1CCC(c2ccccc2)CC1)C1CCNCC1.Cl.
What is the InChIKey of 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The InChIKey is GUTJCIJCTLAAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-16(17-7-11-21-12-8-17)15-20(23)22-13-9-19(10-14-22)18-5-3-2-4-6-18;/h2-6,16-17,19,21H,7-15H2,1H3;1H.
What are the key properties of 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119703057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).