4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride

C15H24Cl3N3O — CID 119832689

IUPAC4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O.2ClH/c16-14-4-1-3-13(11-14)12-18-7-9-19(10-8-18)15(20)5-2-6-17;;/h1,3-4,11H,2,5-10,12,17H2;2*1H
InChIKeyKOOBCKKKQKFEQD-UHFFFAOYSA-N
MW368.74 g/mol
LogP2.57
Rot. Bonds5

About 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride

4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119832689) has the molecular formula C15H24Cl3N3O and a molecular weight of 368.74 g/mol. Its IUPAC name is 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
PubChem CID119832689
Molecular FormulaC15H24Cl3N3O
Molecular Weight368.74 g/mol
Exact Mass367.10
IUPAC Name4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O.2ClH/c16-14-4-1-3-13(11-14)12-18-7-9-19(10-8-18)15(20)5-2-6-17;;/h1,3-4,11H,2,5-10,12,17H2;2*1H
InChIKeyKOOBCKKKQKFEQD-UHFFFAOYSA-N
XLogP2.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119833280
4-amino-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-1-one
CID 119833281
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982286
benzyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]carbamate
CID 55821651
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 86848942
2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119832630
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 19323530
(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119832653
3-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502539
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19323616

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride (CID 119832689) is 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride is Cl.Cl.NCCCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is KOOBCKKKQKFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.2ClH/c16-14-4-1-3-13(11-14)12-18-7-9-19(10-8-18)15(20)5-2-6-17;;/h1,3-4,11H,2,5-10,12,17H2;2*1H.
What are the key properties of 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride?
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 368.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119832689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).