4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine

C16H21N3 — CID 122240912

IUPAC4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine
SMILESc1ccc(CCn2cc(C3CCNCC3)cn2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-14(5-3-1)8-11-19-13-16(12-18-19)15-6-9-17-10-7-15/h1-5,12-13,15,17H,6-11H2
InChIKeyPOJLBHPJZQRSOK-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.59
Rot. Bonds4

About 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine

4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine (PubChem CID 122240912) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine
PubChem CID122240912
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine
SMILESc1ccc(CCn2cc(C3CCNCC3)cn2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-14(5-3-1)8-11-19-13-16(12-18-19)15-6-9-17-10-7-15/h1-5,12-13,15,17H,6-11H2
InChIKeyPOJLBHPJZQRSOK-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine?
The IUPAC name of 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine (CID 122240912) is 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine is c1ccc(CCn2cc(C3CCNCC3)cn2)cc1.
What is the InChIKey of 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine?
The InChIKey is POJLBHPJZQRSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-4-14(5-3-1)8-11-19-13-16(12-18-19)15-6-9-17-10-7-15/h1-5,12-13,15,17H,6-11H2.
What are the key properties of 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine?
4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 122240912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).