4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine

C22H26N4 — CID 56539310

IUPAC4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine
SMILESc1ccc(CCC2CCN(Cn3nccc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-2-4-19(5-3-1)6-7-20-11-16-25(17-12-20)18-26-22(10-15-24-26)21-8-13-23-14-9-21/h1-5,8-10,13-15,20H,6-7,11-12,16-18H2
InChIKeyVPOGZKURRWQUME-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.25
Rot. Bonds6

About 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine

4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine (PubChem CID 56539310) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine
PubChem CID56539310
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine
SMILESc1ccc(CCC2CCN(Cn3nccc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-2-4-19(5-3-1)6-7-20-11-16-25(17-12-20)18-26-22(10-15-24-26)21-8-13-23-14-9-21/h1-5,8-10,13-15,20H,6-7,11-12,16-18H2
InChIKeyVPOGZKURRWQUME-UHFFFAOYSA-N
XLogP4.25
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine (CID 56539310) is 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine is c1ccc(CCC2CCN(Cn3nccc3-c3ccncc3)CC2)cc1.
What is the InChIKey of 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine?
The InChIKey is VPOGZKURRWQUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-2-4-19(5-3-1)6-7-20-11-16-25(17-12-20)18-26-22(10-15-24-26)21-8-13-23-14-9-21/h1-5,8-10,13-15,20H,6-7,11-12,16-18H2.
What are the key properties of 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine?
4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine has a molecular weight of 346.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 56539310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).