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

C15H25N3 — CID 102539762

IUPAC3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
SMILESCCCCN1CCCCC1c1cccnc1NC
InChIInChI=1S/C15H25N3/c1-3-4-11-18-12-6-5-9-14(18)13-8-7-10-17-15(13)16-2/h7-8,10,14H,3-6,9,11-12H2,1-2H3,(H,16,17)
InChIKeyWUVAVPGQPVOHBL-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.45
Rot. Bonds5

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

3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine (PubChem CID 102539762) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
PubChem CID102539762
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
SMILESCCCCN1CCCCC1c1cccnc1NC
InChIInChI=1S/C15H25N3/c1-3-4-11-18-12-6-5-9-14(18)13-8-7-10-17-15(13)16-2/h7-8,10,14H,3-6,9,11-12H2,1-2H3,(H,16,17)
InChIKeyWUVAVPGQPVOHBL-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.45
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-methylpyridin-2-amine?
The IUPAC name of 3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine (CID 102539762) is 3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine is CCCCN1CCCCC1c1cccnc1NC.
What is the InChIKey of 3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine?
The InChIKey is WUVAVPGQPVOHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-4-11-18-12-6-5-9-14(18)13-8-7-10-17-15(13)16-2/h7-8,10,14H,3-6,9,11-12H2,1-2H3,(H,16,17).
What are the key properties of 3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine?
3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.45, 5 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-methylpyridin-2-amine is sourced from PubChem (CID 102539762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).