[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C18H20ClN3O — CID 110452050

IUPAC[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESNCc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O/c19-15-5-3-6-16(12-15)21-8-10-22(11-9-21)18(23)17-7-2-1-4-14(17)13-20/h1-7,12H,8-11,13,20H2
InChIKeyONBCLZHXUUWYNR-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.76
Rot. Bonds3

About [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 110452050) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID110452050
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESNCc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O/c19-15-5-3-6-16(12-15)21-8-10-22(11-9-21)18(23)17-7-2-1-4-14(17)13-20/h1-7,12H,8-11,13,20H2
InChIKeyONBCLZHXUUWYNR-UHFFFAOYSA-N
XLogP2.76
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanone
CID 112768153
[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[4-(3-chlorophenyl)piperazin-1-yl]-(2-hydroxyphenyl)methanethione
CID 926155

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 110452050) is [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is NCc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is ONBCLZHXUUWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-15-5-3-6-16(12-15)21-8-10-22(11-9-21)18(23)17-7-2-1-4-14(17)13-20/h1-7,12H,8-11,13,20H2.
What are the key properties of [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 329.83 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110452050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).