4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one

C14H20ClN3O — CID 102662978

IUPAC4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1Cc1ccc(CN)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-14(2)13(19)17-5-6-18(14)9-11-4-3-10(8-16)7-12(11)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyIDYZIXSJLVCKFO-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.51
Rot. Bonds3

About 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one

4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 102662978) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one
PubChem CID102662978
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1Cc1ccc(CN)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-14(2)13(19)17-5-6-18(14)9-11-4-3-10(8-16)7-12(11)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyIDYZIXSJLVCKFO-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1,3,3-trimethylpiperazin-2-one
CID 102663048
4-[(2-aminophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 54773617
4-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 55217466
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
CID 102663211
4-[(3,6-dichloro-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63595115
N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
CID 63594738
4-[(3-bromophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63607709
4-[(5-acetyl-2-hydroxyphenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63606989
4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
CID 63596626
4-[2-(4-aminophenyl)ethyl]-3,3-dimethylpiperazin-2-one
CID 63595398
2-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-4-fluorobenzenecarbothioamide
CID 64765611

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one (CID 102662978) is 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1Cc1ccc(CN)cc1Cl.
What is the InChIKey of 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is IDYZIXSJLVCKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-14(2)13(19)17-5-6-18(14)9-11-4-3-10(8-16)7-12(11)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one?
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 281.79 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 102662978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).