(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride

C15H22Cl3N3O — CID 119887171

IUPAC(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)N2CCN(C3CCC3)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O.2ClH/c16-14-10-11(17)4-5-13(14)15(20)19-8-6-18(7-9-19)12-2-1-3-12;;/h4-5,10,12H,1-3,6-9,17H2;2*1H
InChIKeyPOHUNYHHMRJCMQ-UHFFFAOYSA-N
MW366.72 g/mol
LogP3.08
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride

(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119887171) has the molecular formula C15H22Cl3N3O and a molecular weight of 366.72 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119887171
Molecular FormulaC15H22Cl3N3O
Molecular Weight366.72 g/mol
Exact Mass365.08
IUPAC Name(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)N2CCN(C3CCC3)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O.2ClH/c16-14-10-11(17)4-5-13(14)15(20)19-8-6-18(7-9-19)12-2-1-3-12;;/h4-5,10,12H,1-3,6-9,17H2;2*1H
InChIKeyPOHUNYHHMRJCMQ-UHFFFAOYSA-N
XLogP3.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.72
LogP ≤ 53.08
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

(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
CID 155098558
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653
1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119697609
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride (CID 119887171) is (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)N2CCN(C3CCC3)CC2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is POHUNYHHMRJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O.2ClH/c16-14-10-11(17)4-5-13(14)15(20)19-8-6-18(7-9-19)12-2-1-3-12;;/h4-5,10,12H,1-3,6-9,17H2;2*1H.
What are the key properties of (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride?
(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 366.72 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119887171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).