N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine

C18H23N3 — CID 95825111

IUPACN-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine
SMILESc1ccc(CCNc2ccnc(C3CCNCC3)c2)cc1
InChIInChI=1S/C18H23N3/c1-2-4-15(5-3-1)6-12-20-17-9-13-21-18(14-17)16-7-10-19-11-8-16/h1-5,9,13-14,16,19H,6-8,10-12H2,(H,20,21)
InChIKeyHJSYAQQPMJSOGX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds5

About N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine

N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine (PubChem CID 95825111) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine
PubChem CID95825111
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine
SMILESc1ccc(CCNc2ccnc(C3CCNCC3)c2)cc1
InChIInChI=1S/C18H23N3/c1-2-4-15(5-3-1)6-12-20-17-9-13-21-18(14-17)16-7-10-19-11-8-16/h1-5,9,13-14,16,19H,6-8,10-12H2,(H,20,21)
InChIKeyHJSYAQQPMJSOGX-UHFFFAOYSA-N
XLogP3.20
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine?
The IUPAC name of N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine (CID 95825111) is N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine is c1ccc(CCNc2ccnc(C3CCNCC3)c2)cc1.
What is the InChIKey of N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine?
The InChIKey is HJSYAQQPMJSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-4-15(5-3-1)6-12-20-17-9-13-21-18(14-17)16-7-10-19-11-8-16/h1-5,9,13-14,16,19H,6-8,10-12H2,(H,20,21).
What are the key properties of N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine?
N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-piperidin-4-ylpyridin-4-amine is sourced from PubChem (CID 95825111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).