1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine

C22H26N4 — CID 138584984

IUPAC1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine
SMILESc1ccc(CCN2CCC(Nc3ccn(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-3-7-19(8-4-1)11-15-25-16-12-20(13-17-25)23-22-14-18-26(24-22)21-9-5-2-6-10-21/h1-10,14,18,20H,11-13,15-17H2,(H,23,24)
InChIKeyNQBQHIOBBPNVSM-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.99
Rot. Bonds6

About 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine

1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine (PubChem CID 138584984) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine
PubChem CID138584984
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine
SMILESc1ccc(CCN2CCC(Nc3ccn(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-3-7-19(8-4-1)11-15-25-16-12-20(13-17-25)23-22-14-18-26(24-22)21-9-5-2-6-10-21/h1-10,14,18,20H,11-13,15-17H2,(H,23,24)
InChIKeyNQBQHIOBBPNVSM-UHFFFAOYSA-N
XLogP3.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine?
The IUPAC name of 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine (CID 138584984) is 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine is c1ccc(CCN2CCC(Nc3ccn(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine?
The InChIKey is NQBQHIOBBPNVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-7-19(8-4-1)11-15-25-16-12-20(13-17-25)23-22-14-18-26(24-22)21-9-5-2-6-10-21/h1-10,14,18,20H,11-13,15-17H2,(H,23,24).
What are the key properties of 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine?
1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine has a molecular weight of 346.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-(1-phenylpyrazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 138584984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).