3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine

C20H27N3 — CID 102540559

IUPAC3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
SMILESCCCCN1CCCCC1c1cccnc1Nc1ccccc1
InChIInChI=1S/C20H27N3/c1-2-3-15-23-16-8-7-13-19(23)18-12-9-14-21-20(18)22-17-10-5-4-6-11-17/h4-6,9-12,14,19H,2-3,7-8,13,15-16H2,1H3,(H,21,22)
InChIKeyUKOCNWZWSIPZQJ-UHFFFAOYSA-N
MW309.46 g/mol
LogP5.15
Rot. Bonds6

About 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine

3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine (PubChem CID 102540559) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
PubChem CID102540559
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
SMILESCCCCN1CCCCC1c1cccnc1Nc1ccccc1
InChIInChI=1S/C20H27N3/c1-2-3-15-23-16-8-7-13-19(23)18-12-9-14-21-20(18)22-17-10-5-4-6-11-17/h4-6,9-12,14,19H,2-3,7-8,13,15-16H2,1H3,(H,21,22)
InChIKeyUKOCNWZWSIPZQJ-UHFFFAOYSA-N
XLogP5.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine?
The IUPAC name of 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine (CID 102540559) is 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine.
What is the SMILES notation for 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine?
The canonical SMILES for 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine is CCCCN1CCCCC1c1cccnc1Nc1ccccc1.
What is the InChIKey of 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine?
The InChIKey is UKOCNWZWSIPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-3-15-23-16-8-7-13-19(23)18-12-9-14-21-20(18)22-17-10-5-4-6-11-17/h4-6,9-12,14,19H,2-3,7-8,13,15-16H2,1H3,(H,21,22).
What are the key properties of 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine?
3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine has a molecular weight of 309.46 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine is sourced from PubChem (CID 102540559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).