4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one

C13H18ClN3O — CID 64695306

IUPAC4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one
SMILESCC(N)c1ccc(N2CCN(C)C(=O)C2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-9(15)10-3-4-12(11(14)7-10)17-6-5-16(2)13(18)8-17/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeySUFBDYMBIWOWFA-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.64
Rot. Bonds2

About 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one

4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one (PubChem CID 64695306) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one
PubChem CID64695306
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one
SMILESCC(N)c1ccc(N2CCN(C)C(=O)C2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-9(15)10-3-4-12(11(14)7-10)17-6-5-16(2)13(18)8-17/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeySUFBDYMBIWOWFA-UHFFFAOYSA-N
XLogP1.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methyl-1,4-diazepan-2-one
CID 102889325
4-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-1-methylpiperazin-2-one
CID 64693226
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
4-[4-[(1S)-1-aminoethyl]phenyl]-1-methylpiperazin-2-one
CID 78997047
4-[4-(1-aminoethyl)phenyl]-1-methylpiperazin-2-one
CID 64693857
4-[4-(1-aminoethyl)-2-chlorophenyl]piperazine-2,6-dione
CID 66083936
4-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]piperazin-2-one
CID 78935671
3-chloro-4-(4-methyl-3-oxopiperazin-1-yl)benzenecarbothioamide
CID 64695893
(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
CID 63368334
4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
CID 64693225
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one (CID 64695306) is 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one is CC(N)c1ccc(N2CCN(C)C(=O)C2)c(Cl)c1.
What is the InChIKey of 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one?
The InChIKey is SUFBDYMBIWOWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9(15)10-3-4-12(11(14)7-10)17-6-5-16(2)13(18)8-17/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one?
4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one has a molecular weight of 267.76 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64695306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).