4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride

C14H25ClN4 — CID 23031012

IUPAC4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride
SMILESCl.c1ncn(CC2(C3CCCCC3)CCNCC2)n1
InChIInChI=1S/C14H24N4.ClH/c1-2-4-13(5-3-1)14(6-8-15-9-7-14)10-18-12-16-11-17-18;/h11-13,15H,1-10H2;1H
InChIKeyGRVRDHZQAKAMPA-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.65
Rot. Bonds3

About 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride

4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride (PubChem CID 23031012) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride
PubChem CID23031012
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC Name4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride
SMILESCl.c1ncn(CC2(C3CCCCC3)CCNCC2)n1
InChIInChI=1S/C14H24N4.ClH/c1-2-4-13(5-3-1)14(6-8-15-9-7-14)10-18-12-16-11-17-18;/h11-13,15H,1-10H2;1H
InChIKeyGRVRDHZQAKAMPA-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride (CID 23031012) is 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride is Cl.c1ncn(CC2(C3CCCCC3)CCNCC2)n1.
What is the InChIKey of 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride?
The InChIKey is GRVRDHZQAKAMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4.ClH/c1-2-4-13(5-3-1)14(6-8-15-9-7-14)10-18-12-16-11-17-18;/h11-13,15H,1-10H2;1H.
What are the key properties of 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride?
4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 23031012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).