(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride

C12H18ClN3O — CID 19842351

IUPAC(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2cccc(N)c2)CC1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(13)9-10;/h2-4,9H,5-8,13H2,1H3;1H
InChIKeyIDCJZSLJBLYYKO-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.08
Rot. Bonds1

About (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride

(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 19842351) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID19842351
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2cccc(N)c2)CC1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(13)9-10;/h2-4,9H,5-8,13H2,1H3;1H
InChIKeyIDCJZSLJBLYYKO-UHFFFAOYSA-N
XLogP1.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 119708838
(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
(3-aminophenyl)-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119887331
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
CID 174584749
CID 174584749
(3-aminophenyl)-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119878601

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride (CID 19842351) is (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride is CN1CCN(C(=O)c2cccc(N)c2)CC1.Cl.
What is the InChIKey of (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is IDCJZSLJBLYYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(13)9-10;/h2-4,9H,5-8,13H2,1H3;1H.
What are the key properties of (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 19842351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).