(3S)-3-(triazol-1-yl)piperidine

C7H12N4 — CID 86332249

IUPAC(3S)-3-(triazol-1-yl)piperidine
SMILESc1cn([C@H]2CCCNC2)nn1
InChIInChI=1S/C7H12N4/c1-2-7(6-8-3-1)11-5-4-9-10-11/h4-5,7-8H,1-3,6H2/t7-/m0/s1
InChIKeyKGXBEJFERUBKKY-ZETCQYMHSA-N
MW152.20 g/mol
LogP0.20
Rot. Bonds1

About (3S)-3-(triazol-1-yl)piperidine

(3S)-3-(triazol-1-yl)piperidine (PubChem CID 86332249) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (3S)-3-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name(3S)-3-(triazol-1-yl)piperidine
PubChem CID86332249
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(3S)-3-(triazol-1-yl)piperidine
SMILESc1cn([C@H]2CCCNC2)nn1
InChIInChI=1S/C7H12N4/c1-2-7(6-8-3-1)11-5-4-9-10-11/h4-5,7-8H,1-3,6H2/t7-/m0/s1
InChIKeyKGXBEJFERUBKKY-ZETCQYMHSA-N
XLogP0.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(triazol-1-yl)piperidine?
The IUPAC name of (3S)-3-(triazol-1-yl)piperidine (CID 86332249) is (3S)-3-(triazol-1-yl)piperidine.
What is the SMILES notation for (3S)-3-(triazol-1-yl)piperidine?
The canonical SMILES for (3S)-3-(triazol-1-yl)piperidine is c1cn([C@H]2CCCNC2)nn1.
What is the InChIKey of (3S)-3-(triazol-1-yl)piperidine?
The InChIKey is KGXBEJFERUBKKY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-7(6-8-3-1)11-5-4-9-10-11/h4-5,7-8H,1-3,6H2/t7-/m0/s1.
What are the key properties of (3S)-3-(triazol-1-yl)piperidine?
(3S)-3-(triazol-1-yl)piperidine has a molecular weight of 152.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(triazol-1-yl)piperidine is sourced from PubChem (CID 86332249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).