4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine

C21H31N3 — CID 141356476

IUPAC4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine
SMILESCc1ccc(C)c(C2CCN(CCc3cc(C(C)C)n[nH]3)CC2)c1
InChIInChI=1S/C21H31N3/c1-15(2)21-14-19(22-23-21)9-12-24-10-7-18(8-11-24)20-13-16(3)5-6-17(20)4/h5-6,13-15,18H,7-12H2,1-4H3,(H,22,23)
InChIKeyMDXMONXXMQRPIV-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.57
Rot. Bonds5

About 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine

4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine (PubChem CID 141356476) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine
PubChem CID141356476
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine
SMILESCc1ccc(C)c(C2CCN(CCc3cc(C(C)C)n[nH]3)CC2)c1
InChIInChI=1S/C21H31N3/c1-15(2)21-14-19(22-23-21)9-12-24-10-7-18(8-11-24)20-13-16(3)5-6-17(20)4/h5-6,13-15,18H,7-12H2,1-4H3,(H,22,23)
InChIKeyMDXMONXXMQRPIV-UHFFFAOYSA-N
XLogP4.57
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine?
The IUPAC name of 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine (CID 141356476) is 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine is Cc1ccc(C)c(C2CCN(CCc3cc(C(C)C)n[nH]3)CC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine?
The InChIKey is MDXMONXXMQRPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-15(2)21-14-19(22-23-21)9-12-24-10-7-18(8-11-24)20-13-16(3)5-6-17(20)4/h5-6,13-15,18H,7-12H2,1-4H3,(H,22,23).
What are the key properties of 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine?
4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine has a molecular weight of 325.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 141356476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).