1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride

C10H18ClN5O — CID 119377867

IUPAC1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
SMILESCl.NC1CCCN(C(=O)CCn2ccnn2)C1
InChIInChI=1S/C10H17N5O.ClH/c11-9-2-1-5-14(8-9)10(16)3-6-15-7-4-12-13-15;/h4,7,9H,1-3,5-6,8,11H2;1H
InChIKeyVPEGSOOGFRIYQK-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.04
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride (PubChem CID 119377867) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
PubChem CID119377867
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
SMILESCl.NC1CCCN(C(=O)CCn2ccnn2)C1
InChIInChI=1S/C10H17N5O.ClH/c11-9-2-1-5-14(8-9)10(16)3-6-15-7-4-12-13-15;/h4,7,9H,1-3,5-6,8,11H2;1H
InChIKeyVPEGSOOGFRIYQK-UHFFFAOYSA-N
XLogP0.04
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride (CID 119377867) is 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride is Cl.NC1CCCN(C(=O)CCn2ccnn2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride?
The InChIKey is VPEGSOOGFRIYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O.ClH/c11-9-2-1-5-14(8-9)10(16)3-6-15-7-4-12-13-15;/h4,7,9H,1-3,5-6,8,11H2;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119377867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).