(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H17ClN2O2 — CID 43589993

IUPAC(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(CO)C2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-6-10(15)3-4-11(12)13(18)16-5-1-2-9(7-16)8-17/h3-4,6,9,17H,1-2,5,7-8,15H2
InChIKeyBLHZSRMZPLGCGT-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.77
Rot. Bonds2

About (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43589993) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43589993
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(CO)C2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-6-10(15)3-4-11(12)13(18)16-5-1-2-9(7-16)8-17/h3-4,6,9,17H,1-2,5,7-8,15H2
InChIKeyBLHZSRMZPLGCGT-UHFFFAOYSA-N
XLogP1.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone 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-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43589993) is (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Nc1ccc(C(=O)N2CCCC(CO)C2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is BLHZSRMZPLGCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-6-10(15)3-4-11(12)13(18)16-5-1-2-9(7-16)8-17/h3-4,6,9,17H,1-2,5,7-8,15H2.
What are the key properties of (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 268.74 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43589993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).