1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride

C17H26Cl2N2O — CID 120803430

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
SMILESCC(C)(C)CCC(=O)N1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-17(2,3)8-7-16(21)20-10-9-19-12-15(20)13-5-4-6-14(18)11-13;/h4-6,11,15,19H,7-10,12H2,1-3H3;1H
InChIKeyBDMFBGSPAGVMAW-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.06
Rot. Bonds3

About 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride

1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride (PubChem CID 120803430) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
PubChem CID120803430
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
SMILESCC(C)(C)CCC(=O)N1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-17(2,3)8-7-16(21)20-10-9-19-12-15(20)13-5-4-6-14(18)11-13;/h4-6,11,15,19H,7-10,12H2,1-3H3;1H
InChIKeyBDMFBGSPAGVMAW-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
3-(1-acetylpiperidin-4-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120803200
5-[2-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120801869
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 120803550
2-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 120802401
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 120801978
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 120803115
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 120802359

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride (CID 120803430) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride is CC(C)(C)CCC(=O)N1CCNCC1c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride?
The InChIKey is BDMFBGSPAGVMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-17(2,3)8-7-16(21)20-10-9-19-12-15(20)13-5-4-6-14(18)11-13;/h4-6,11,15,19H,7-10,12H2,1-3H3;1H.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride?
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride is sourced from PubChem (CID 120803430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).