4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine

C22H31N3 — CID 10520941

IUPAC4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCC(c3cc(C4CCCCC4)n[nH]3)CC2)cc1
InChIInChI=1S/C22H31N3/c1-3-7-18(8-4-1)11-14-25-15-12-20(13-16-25)22-17-21(23-24-22)19-9-5-2-6-10-19/h1,3-4,7-8,17,19-20H,2,5-6,9-16H2,(H,23,24)
InChIKeyXNFZPEDEZVYDIU-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.88
Rot. Bonds5

About 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine

4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine (PubChem CID 10520941) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
PubChem CID10520941
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCC(c3cc(C4CCCCC4)n[nH]3)CC2)cc1
InChIInChI=1S/C22H31N3/c1-3-7-18(8-4-1)11-14-25-15-12-20(13-16-25)22-17-21(23-24-22)19-9-5-2-6-10-19/h1,3-4,7-8,17,19-20H,2,5-6,9-16H2,(H,23,24)
InChIKeyXNFZPEDEZVYDIU-UHFFFAOYSA-N
XLogP4.88
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine (CID 10520941) is 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine is c1ccc(CCN2CCC(c3cc(C4CCCCC4)n[nH]3)CC2)cc1.
What is the InChIKey of 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine?
The InChIKey is XNFZPEDEZVYDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-3-7-18(8-4-1)11-14-25-15-12-20(13-16-25)22-17-21(23-24-22)19-9-5-2-6-10-19/h1,3-4,7-8,17,19-20H,2,5-6,9-16H2,(H,23,24).
What are the key properties of 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine?
4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine has a molecular weight of 337.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 10520941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).