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

C14H20ClN3O — CID 102662708

IUPAC1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
SMILESNCc1ccc(CN2CCC(C(N)=O)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c15-13-7-10(8-16)1-2-12(13)9-18-5-3-11(4-6-18)14(17)19/h1-2,7,11H,3-6,8-9,16H2,(H2,17,19)
InChIKeyXORRGFLXCPZWSX-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.50
Rot. Bonds4

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

1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide (PubChem CID 102662708) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
PubChem CID102662708
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
SMILESNCc1ccc(CN2CCC(C(N)=O)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c15-13-7-10(8-16)1-2-12(13)9-18-5-3-11(4-6-18)14(17)19/h1-2,7,11H,3-6,8-9,16H2,(H2,17,19)
InChIKeyXORRGFLXCPZWSX-UHFFFAOYSA-N
XLogP1.50
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-carbamothioyl-2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 102666009
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
CID 102663114
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 104969517
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
sodium 4-[(4-carbamoylpiperidin-1-yl)methyl]phenolate
CID 57448397

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide (CID 102662708) is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide is NCc1ccc(CN2CCC(C(N)=O)CC2)c(Cl)c1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide?
The InChIKey is XORRGFLXCPZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-13-7-10(8-16)1-2-12(13)9-18-5-3-11(4-6-18)14(17)19/h1-2,7,11H,3-6,8-9,16H2,(H2,17,19).
What are the key properties of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide?
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 102662708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).