1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine

C17H29N3 — CID 107874234

IUPAC1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C17H29N3/c1-5-10-18-15-8-11-20(12-9-15)16-7-6-14(13-19-16)17(2,3)4/h6-7,13,15,18H,5,8-12H2,1-4H3
InChIKeyXYNGTWLLLRRTDL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.35
Rot. Bonds4

About 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine

1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine (PubChem CID 107874234) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine
PubChem CID107874234
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C17H29N3/c1-5-10-18-15-8-11-20(12-9-15)16-7-6-14(13-19-16)17(2,3)4/h6-7,13,15,18H,5,8-12H2,1-4H3
InChIKeyXYNGTWLLLRRTDL-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine (CID 107874234) is 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine?
The InChIKey is XYNGTWLLLRRTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-10-18-15-8-11-20(12-9-15)16-7-6-14(13-19-16)17(2,3)4/h6-7,13,15,18H,5,8-12H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine?
1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 107874234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).