1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride

C12H22ClN5 — CID 135347545

IUPAC1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
SMILESCl.c1n[nH]c(C2CCN(C3CCNCC3)CC2)n1
InChIInChI=1S/C12H21N5.ClH/c1-5-13-6-2-11(1)17-7-3-10(4-8-17)12-14-9-15-16-12;/h9-11,13H,1-8H2,(H,14,15,16);1H
InChIKeyXPRLASBXJASMIR-UHFFFAOYSA-N
MW271.80 g/mol
LogP1.16
Rot. Bonds2

About 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride

1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride (PubChem CID 135347545) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 g/mol. Its IUPAC name is 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
PubChem CID135347545
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
SMILESCl.c1n[nH]c(C2CCN(C3CCNCC3)CC2)n1
InChIInChI=1S/C12H21N5.ClH/c1-5-13-6-2-11(1)17-7-3-10(4-8-17)12-14-9-15-16-12;/h9-11,13H,1-8H2,(H,14,15,16);1H
InChIKeyXPRLASBXJASMIR-UHFFFAOYSA-N
XLogP1.16
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride (CID 135347545) is 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride is Cl.c1n[nH]c(C2CCN(C3CCNCC3)CC2)n1.
What is the InChIKey of 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride?
The InChIKey is XPRLASBXJASMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.ClH/c1-5-13-6-2-11(1)17-7-3-10(4-8-17)12-14-9-15-16-12;/h9-11,13H,1-8H2,(H,14,15,16);1H.
What are the key properties of 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride?
1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride has a molecular weight of 271.80 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride is sourced from PubChem (CID 135347545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).