1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine

C15H25N3 — CID 786815

IUPAC1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESc1c(C2CCCCC2)n[nH]c1CN1CCCCC1
InChIInChI=1S/C15H25N3/c1-3-7-13(8-4-1)15-11-14(16-17-15)12-18-9-5-2-6-10-18/h11,13H,1-10,12H2,(H,16,17)
InChIKeyXKNXSIOHXSOBAB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.44
Rot. Bonds3

About 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine (PubChem CID 786815) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
PubChem CID786815
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESc1c(C2CCCCC2)n[nH]c1CN1CCCCC1
InChIInChI=1S/C15H25N3/c1-3-7-13(8-4-1)15-11-14(16-17-15)12-18-9-5-2-6-10-18/h11,13H,1-10,12H2,(H,16,17)
InChIKeyXKNXSIOHXSOBAB-UHFFFAOYSA-N
XLogP3.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine?
The IUPAC name of 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine (CID 786815) is 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine?
The canonical SMILES for 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine is c1c(C2CCCCC2)n[nH]c1CN1CCCCC1.
What is the InChIKey of 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine?
The InChIKey is XKNXSIOHXSOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-7-13(8-4-1)15-11-14(16-17-15)12-18-9-5-2-6-10-18/h11,13H,1-10,12H2,(H,16,17).
What are the key properties of 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine?
1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine has a molecular weight of 247.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 786815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).