1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide

C13H18ClN3O — CID 114068114

IUPAC1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide
SMILESNCc1cccc(Cl)c1N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-3-1-2-10(8-15)12(11)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-8,15H2,(H2,16,18)
InChIKeyLBSKRXZGRJGDMT-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.50
Rot. Bonds3

About 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide

1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide (PubChem CID 114068114) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide
PubChem CID114068114
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide
SMILESNCc1cccc(Cl)c1N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-3-1-2-10(8-15)12(11)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-8,15H2,(H2,16,18)
InChIKeyLBSKRXZGRJGDMT-UHFFFAOYSA-N
XLogP1.50
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide (CID 114068114) is 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide is NCc1cccc(Cl)c1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide?
The InChIKey is LBSKRXZGRJGDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-3-1-2-10(8-15)12(11)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-8,15H2,(H2,16,18).
What are the key properties of 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide?
1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 114068114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).