2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride

C14H28ClN3O — CID 119916027

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.NCC1CCCCN1CC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O.ClH/c15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-1-3-7-12;/h12-13H,1-11,15H2,(H,16,18);1H
InChIKeyRRSXJXURUDHLPA-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.67
Rot. Bonds4

About 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride

2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride (PubChem CID 119916027) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
PubChem CID119916027
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.NCC1CCCCN1CC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O.ClH/c15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-1-3-7-12;/h12-13H,1-11,15H2,(H,16,18);1H
InChIKeyRRSXJXURUDHLPA-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
N-cycloheptyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690342
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 63763550
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
N-cyclohexyl-2-[2-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847125
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 81492966
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
CID 95154417

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride (CID 119916027) is 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride is Cl.NCC1CCCCN1CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride?
The InChIKey is RRSXJXURUDHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-1-3-7-12;/h12-13H,1-11,15H2,(H,16,18);1H.
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride?
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.67, 4 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]-N-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119916027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).