2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide

C14H20ClN3O — CID 62944524

IUPAC2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide
SMILESNCc1ccc(N2CCC(CC(N)=O)CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-8-12(2-1-11(13)9-16)18-5-3-10(4-6-18)7-14(17)19/h1-2,8,10H,3-7,9,16H2,(H2,17,19)
InChIKeySMKAVSOLNWFIBJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.89
Rot. Bonds4

About 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide

2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide (PubChem CID 62944524) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide
PubChem CID62944524
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide
SMILESNCc1ccc(N2CCC(CC(N)=O)CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-8-12(2-1-11(13)9-16)18-5-3-10(4-6-18)7-14(17)19/h1-2,8,10H,3-7,9,16H2,(H2,17,19)
InChIKeySMKAVSOLNWFIBJ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol
CID 106667722
[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 62946182
2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide
CID 62912486
(2-chloro-4-piperazin-1-ylphenyl)methanamine
CID 62945857
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62945829
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide
CID 107276144
2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 54989376
2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
CID 54989164
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
2-[1-(3-cyano-4-nitrophenyl)piperidin-4-yl]acetamide
CID 115349364
2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide (CID 62944524) is 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide is NCc1ccc(N2CCC(CC(N)=O)CC2)cc1Cl.
What is the InChIKey of 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide?
The InChIKey is SMKAVSOLNWFIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-13-8-12(2-1-11(13)9-16)18-5-3-10(4-6-18)7-14(17)19/h1-2,8,10H,3-7,9,16H2,(H2,17,19).
What are the key properties of 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide?
2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 62944524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).