2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one

C16H24ClN3O — CID 65225836

IUPAC2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(CN)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-2-4-13(12-18)16(21)20-9-7-19(8-10-20)15-6-3-5-14(17)11-15/h3,5-6,11,13H,2,4,7-10,12,18H2,1H3
InChIKeyUZIMCQNXKVCDCC-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.36
Rot. Bonds5

About 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one

2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one (PubChem CID 65225836) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one
PubChem CID65225836
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(CN)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-2-4-13(12-18)16(21)20-9-7-19(8-10-20)15-6-3-5-14(17)11-15/h3,5-6,11,13H,2,4,7-10,12,18H2,1H3
InChIKeyUZIMCQNXKVCDCC-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
(2R)-2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104906806
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea
CID 136518884
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one (CID 65225836) is 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one is CCCC(CN)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is UZIMCQNXKVCDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-4-13(12-18)16(21)20-9-7-19(8-10-20)15-6-3-5-14(17)11-15/h3,5-6,11,13H,2,4,7-10,12,18H2,1H3.
What are the key properties of 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one?
2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one has a molecular weight of 309.84 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 65225836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).