1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone

C10H17N5O — CID 81479505

IUPAC1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESNCC1CCCN(C(=O)Cn2ccnn2)C1
InChIInChI=1S/C10H17N5O/c11-6-9-2-1-4-14(7-9)10(16)8-15-5-3-12-13-15/h3,5,9H,1-2,4,6-8,11H2
InChIKeyYHNBHCRTYDRMAY-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.52
Rot. Bonds3

About 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone

1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone (PubChem CID 81479505) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
PubChem CID81479505
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESNCC1CCCN(C(=O)Cn2ccnn2)C1
InChIInChI=1S/C10H17N5O/c11-6-9-2-1-4-14(7-9)10(16)8-15-5-3-12-13-15/h3,5,9H,1-2,4,6-8,11H2
InChIKeyYHNBHCRTYDRMAY-UHFFFAOYSA-N
XLogP-0.52
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81487187
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
3-amino-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120873415
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 118792880
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 126453543
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
CID 115348314
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 127643910
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone (CID 81479505) is 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone is NCC1CCCN(C(=O)Cn2ccnn2)C1.
What is the InChIKey of 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The InChIKey is YHNBHCRTYDRMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-6-9-2-1-4-14(7-9)10(16)8-15-5-3-12-13-15/h3,5,9H,1-2,4,6-8,11H2.
What are the key properties of 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone is sourced from PubChem (CID 81479505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).