N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine

C18H23N3 — CID 110257353

IUPACN-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine
SMILESc1ccc(CCNc2cccc(C3CCCNC3)n2)cc1
InChIInChI=1S/C18H23N3/c1-2-6-15(7-3-1)11-13-20-18-10-4-9-17(21-18)16-8-5-12-19-14-16/h1-4,6-7,9-10,16,19H,5,8,11-14H2,(H,20,21)
InChIKeyNCBCLZWDBAOJLK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds5

About N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine

N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine (PubChem CID 110257353) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine
PubChem CID110257353
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine
SMILESc1ccc(CCNc2cccc(C3CCCNC3)n2)cc1
InChIInChI=1S/C18H23N3/c1-2-6-15(7-3-1)11-13-20-18-10-4-9-17(21-18)16-8-5-12-19-14-16/h1-4,6-7,9-10,16,19H,5,8,11-14H2,(H,20,21)
InChIKeyNCBCLZWDBAOJLK-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)-6-piperidin-3-ylpyridin-2-amine?
The IUPAC name of N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine (CID 110257353) is N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine?
The canonical SMILES for N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine is c1ccc(CCNc2cccc(C3CCCNC3)n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine?
The InChIKey is NCBCLZWDBAOJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-6-15(7-3-1)11-13-20-18-10-4-9-17(21-18)16-8-5-12-19-14-16/h1-4,6-7,9-10,16,19H,5,8,11-14H2,(H,20,21).
What are the key properties of N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-amine?
N-(2-phenylethyl)-6-piperidin-3-ylpyridin-2-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)-6-piperidin-3-ylpyridin-2-amine is sourced from PubChem (CID 110257353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).