1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C15H25N3 — CID 51085983

IUPAC1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ccncc2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)18-10-6-14(7-11-18)17-12-13-4-8-16-9-5-13/h4-5,8-9,14,17H,6-7,10-12H2,1-3H3
InChIKeyPVDAIRDBSFJIOY-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.43
Rot. Bonds3

About 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 51085983) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID51085983
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ccncc2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)18-10-6-14(7-11-18)17-12-13-4-8-16-9-5-13/h4-5,8-9,14,17H,6-7,10-12H2,1-3H3
InChIKeyPVDAIRDBSFJIOY-UHFFFAOYSA-N
XLogP2.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 51085983) is 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is CC(C)(C)N1CCC(NCc2ccncc2)CC1.
What is the InChIKey of 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is PVDAIRDBSFJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)18-10-6-14(7-11-18)17-12-13-4-8-16-9-5-13/h4-5,8-9,14,17H,6-7,10-12H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 51085983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).