2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one

C16H24ClN3O — CID 60853847

IUPAC2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-2-3-7-14(18)16(21)20-11-9-19(10-12-20)15-8-5-4-6-13(15)17/h4-6,8,14H,2-3,7,9-12,18H2,1H3
InChIKeyUZNTYJYDHYVKBG-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.51
Rot. Bonds5

About 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one

2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one (PubChem CID 60853847) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
PubChem CID60853847
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-2-3-7-14(18)16(21)20-11-9-19(10-12-20)15-8-5-4-6-13(15)17/h4-6,8,14H,2-3,7,9-12,18H2,1H3
InChIKeyUZNTYJYDHYVKBG-UHFFFAOYSA-N
XLogP2.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 18545021
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 62473038

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one (CID 60853847) is 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one is CCCCC(N)C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one?
The InChIKey is UZNTYJYDHYVKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-3-7-14(18)16(21)20-11-9-19(10-12-20)15-8-5-4-6-13(15)17/h4-6,8,14H,2-3,7,9-12,18H2,1H3.
What are the key properties of 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one?
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one has a molecular weight of 309.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 60853847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).