(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone

C12H16ClN3O — CID 110464956

IUPAC(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
SMILESNc1cc(Cl)ccc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H16ClN3O/c13-8-1-2-10(11(15)7-8)12(17)16-5-3-9(14)4-6-16/h1-2,7,9H,3-6,14-15H2
InChIKeyKZQLANYUNMGGGV-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.49
Rot. Bonds1

About (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone

(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone (PubChem CID 110464956) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
PubChem CID110464956
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
SMILESNc1cc(Cl)ccc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H16ClN3O/c13-8-1-2-10(11(15)7-8)12(17)16-5-3-9(14)4-6-16/h1-2,7,9H,3-6,14-15H2
InChIKeyKZQLANYUNMGGGV-UHFFFAOYSA-N
XLogP1.49
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-amino-4-chlorophenyl)methanone
CID 115558668
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-nitrophenyl)methanone;hydrochloride
CID 119934218
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone (CID 110464956) is (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone is Nc1cc(Cl)ccc1C(=O)N1CCC(N)CC1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone?
The InChIKey is KZQLANYUNMGGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-8-1-2-10(11(15)7-8)12(17)16-5-3-9(14)4-6-16/h1-2,7,9H,3-6,14-15H2.
What are the key properties of (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone?
(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone is sourced from PubChem (CID 110464956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).