(2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine

C13H21N3 — CID 95808772

IUPAC(2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine
SMILESc1cc([C@H]2CCCCN2C2CCCC2)[nH]n1
InChIInChI=1S/C13H21N3/c1-2-6-11(5-1)16-10-4-3-7-13(16)12-8-9-14-15-12/h8-9,11,13H,1-7,10H2,(H,14,15)/t13-/m1/s1
InChIKeyYJPMDQFUBTUBTI-CYBMUJFWSA-N
MW219.33 g/mol
LogP2.88
Rot. Bonds2

About (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine

(2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 95808772) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine
PubChem CID95808772
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine
SMILESc1cc([C@H]2CCCCN2C2CCCC2)[nH]n1
InChIInChI=1S/C13H21N3/c1-2-6-11(5-1)16-10-4-3-7-13(16)12-8-9-14-15-12/h8-9,11,13H,1-7,10H2,(H,14,15)/t13-/m1/s1
InChIKeyYJPMDQFUBTUBTI-CYBMUJFWSA-N
XLogP2.88
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine (CID 95808772) is (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine is c1cc([C@H]2CCCCN2C2CCCC2)[nH]n1.
What is the InChIKey of (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is YJPMDQFUBTUBTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-6-11(5-1)16-10-4-3-7-13(16)12-8-9-14-15-12/h8-9,11,13H,1-7,10H2,(H,14,15)/t13-/m1/s1.
What are the key properties of (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine?
(2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 95808772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).