1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine

C17H29N3 — CID 62200154

IUPAC1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
SMILESCCCC1CCN(C(c2ccncc2)C(N)CC)CC1
InChIInChI=1S/C17H29N3/c1-3-5-14-8-12-20(13-9-14)17(16(18)4-2)15-6-10-19-11-7-15/h6-7,10-11,14,16-17H,3-5,8-9,12-13,18H2,1-2H3
InChIKeyNTDOVELILRIJRU-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.37
Rot. Bonds6

About 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine

1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine (PubChem CID 62200154) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
PubChem CID62200154
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
SMILESCCCC1CCN(C(c2ccncc2)C(N)CC)CC1
InChIInChI=1S/C17H29N3/c1-3-5-14-8-12-20(13-9-14)17(16(18)4-2)15-6-10-19-11-7-15/h6-7,10-11,14,16-17H,3-5,8-9,12-13,18H2,1-2H3
InChIKeyNTDOVELILRIJRU-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine (CID 62200154) is 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine is CCCC1CCN(C(c2ccncc2)C(N)CC)CC1.
What is the InChIKey of 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine?
The InChIKey is NTDOVELILRIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-5-14-8-12-20(13-9-14)17(16(18)4-2)15-6-10-19-11-7-15/h6-7,10-11,14,16-17H,3-5,8-9,12-13,18H2,1-2H3.
What are the key properties of 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine?
1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 62200154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).