2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride

C18H28ClN3O — CID 119930059

IUPAC2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1)N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C18H27N3O.ClH/c22-18(13-16-5-2-1-3-6-16)21-11-9-20(10-12-21)15-17-7-4-8-19-14-17;/h1-3,5-6,17,19H,4,7-15H2;1H
InChIKeyDXIHWSWCMRAWLA-UHFFFAOYSA-N
MW337.89 g/mol
LogP1.79
Rot. Bonds4

About 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride

2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119930059) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119930059
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1)N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C18H27N3O.ClH/c22-18(13-16-5-2-1-3-6-16)21-11-9-20(10-12-21)15-17-7-4-8-19-14-17;/h1-3,5-6,17,19H,4,7-15H2;1H
InChIKeyDXIHWSWCMRAWLA-UHFFFAOYSA-N
XLogP1.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 55955450
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
(2,3-dichlorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930219
(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930083
[4-(piperidin-3-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119930211
2-(4-aminophenyl)-1-[4-(cyclohexylmethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843108
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930221
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride (CID 119930059) is 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(Cc1ccccc1)N1CCN(CC2CCCNC2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is DXIHWSWCMRAWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c22-18(13-16-5-2-1-3-6-16)21-11-9-20(10-12-21)15-17-7-4-8-19-14-17;/h1-3,5-6,17,19H,4,7-15H2;1H.
What are the key properties of 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride?
2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 337.89 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119930059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).