(2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine

C14H24N4 — CID 95978853

IUPAC(2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(C[C@H]2CCCCN2CC2CCCC2)n1
InChIInChI=1S/C14H24N4/c1-2-6-13(5-1)9-17-8-4-3-7-14(17)10-18-12-15-11-16-18/h11-14H,1-10H2/t14-/m1/s1
InChIKeyPJUVEGLUPXTIHV-CQSZACIVSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds4

About (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine

(2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 95978853) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID95978853
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(C[C@H]2CCCCN2CC2CCCC2)n1
InChIInChI=1S/C14H24N4/c1-2-6-13(5-1)9-17-8-4-3-7-14(17)10-18-12-15-11-16-18/h11-14H,1-10H2/t14-/m1/s1
InChIKeyPJUVEGLUPXTIHV-CQSZACIVSA-N
XLogP2.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine (CID 95978853) is (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine is c1ncn(C[C@H]2CCCCN2CC2CCCC2)n1.
What is the InChIKey of (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is PJUVEGLUPXTIHV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-6-13(5-1)9-17-8-4-3-7-14(17)10-18-12-15-11-16-18/h11-14H,1-10H2/t14-/m1/s1.
What are the key properties of (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
(2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 95978853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).