1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride

C16H24Cl2N2O — CID 120739229

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
SMILESCCCCCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-2-3-4-9-16(20)19-11-10-18-12-15(19)13-7-5-6-8-14(13)17;/h5-8,15,18H,2-4,9-12H2,1H3;1H
InChIKeyBIOYKADNQOTBPZ-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.82
Rot. Bonds5

About 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride (PubChem CID 120739229) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
PubChem CID120739229
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
SMILESCCCCCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-2-3-4-9-16(20)19-11-10-18-12-15(19)13-7-5-6-8-14(13)17;/h5-8,15,18H,2-4,9-12H2,1H3;1H
InChIKeyBIOYKADNQOTBPZ-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120738621
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120739793
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 120739581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride (CID 120739229) is 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride is CCCCCC(=O)N1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride?
The InChIKey is BIOYKADNQOTBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-2-3-4-9-16(20)19-11-10-18-12-15(19)13-7-5-6-8-14(13)17;/h5-8,15,18H,2-4,9-12H2,1H3;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride is sourced from PubChem (CID 120739229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).