1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine

C16H27N3 — CID 62124060

IUPAC1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(c1ccccn1)N1CCCC(C)C1C
InChIInChI=1S/C16H27N3/c1-4-14(17)16(15-9-5-6-10-18-15)19-11-7-8-12(2)13(19)3/h5-6,9-10,12-14,16H,4,7-8,11,17H2,1-3H3
InChIKeyTUEOCYORAVVGAJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.98
Rot. Bonds4

About 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine

1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine (PubChem CID 62124060) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine
PubChem CID62124060
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(c1ccccn1)N1CCCC(C)C1C
InChIInChI=1S/C16H27N3/c1-4-14(17)16(15-9-5-6-10-18-15)19-11-7-8-12(2)13(19)3/h5-6,9-10,12-14,16H,4,7-8,11,17H2,1-3H3
InChIKeyTUEOCYORAVVGAJ-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine (CID 62124060) is 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine is CCC(N)C(c1ccccn1)N1CCCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine?
The InChIKey is TUEOCYORAVVGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-14(17)16(15-9-5-6-10-18-15)19-11-7-8-12(2)13(19)3/h5-6,9-10,12-14,16H,4,7-8,11,17H2,1-3H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine?
1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 62124060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).