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

C13H17ClN2O2 — CID 43133119

IUPAC(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCC(CO)CC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-2-1-10(7-12(11)15)13(18)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8,15H2
InChIKeyCHKFLSKRNMZVIB-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.77
Rot. Bonds2

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

(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43133119) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43133119
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCC(CO)CC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-2-1-10(7-12(11)15)13(18)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8,15H2
InChIKeyCHKFLSKRNMZVIB-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'}

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Related Compounds

(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
(3-amino-4-bromophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 61092791
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
1,3-dihydro-2-benzofuran-5-yl-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55229921
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209964
(3-amino-4-chlorophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79175553
(4-amino-3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796674
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
1-(3-amino-4-chlorobenzoyl)azetidine-3-carboxylic acid
CID 79310414

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 43133119) is (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is Nc1cc(C(=O)N2CCC(CO)CC2)ccc1Cl.
What is the InChIKey of (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is CHKFLSKRNMZVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-2-1-10(7-12(11)15)13(18)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8,15H2.
What are the key properties of (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(3-amino-4-chlorophenyl)-[4-(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 (3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43133119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).