2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide

C13H18ClN3O — CID 63082965

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
SMILESNCC1CCCCN1c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C13H18ClN3O/c14-9-4-5-11(13(16)18)12(7-9)17-6-2-1-3-10(17)8-15/h4-5,7,10H,1-3,6,8,15H2,(H2,16,18)
InChIKeyVDFJUNCCXKFPKH-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.76
Rot. Bonds3

About 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide

2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide (PubChem CID 63082965) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
PubChem CID63082965
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
SMILESNCC1CCCCN1c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C13H18ClN3O/c14-9-4-5-11(13(16)18)12(7-9)17-6-2-1-3-10(17)8-15/h4-5,7,10H,1-3,6,8,15H2,(H2,16,18)
InChIKeyVDFJUNCCXKFPKH-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid
CID 63081734
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491
2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid
CID 62494147
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
4-chloro-2-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690052
[1-(5-chloro-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 115471938
5-chloro-2-[2-(hydroxymethyl)azepan-1-yl]benzenecarbothioamide
CID 116634840
4-[2-(aminomethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxamide
CID 81051866
4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
CID 113284599
5-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 62493326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide (CID 63082965) is 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide is NCC1CCCCN1c1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide?
The InChIKey is VDFJUNCCXKFPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-9-4-5-11(13(16)18)12(7-9)17-6-2-1-3-10(17)8-15/h4-5,7,10H,1-3,6,8,15H2,(H2,16,18).
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide?
2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide has a molecular weight of 267.76 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide is sourced from PubChem (CID 63082965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).