1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine

C24H33N3 — CID 153349341

IUPAC1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)NC1CCN(c2ccnc(-c3ccc(CCCC)c(C)c3)c2)CC1
InChIInChI=1S/C24H33N3/c1-5-6-7-20-8-9-21(16-19(20)4)24-17-23(10-13-25-24)27-14-11-22(12-15-27)26-18(2)3/h8-10,13,16-17,22,26H,2,5-7,11-12,14-15H2,1,3-4H3
InChIKeyBEJVNFPVWHKIJG-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.49
Rot. Bonds7

About 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine

1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine (PubChem CID 153349341) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine
PubChem CID153349341
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)NC1CCN(c2ccnc(-c3ccc(CCCC)c(C)c3)c2)CC1
InChIInChI=1S/C24H33N3/c1-5-6-7-20-8-9-21(16-19(20)4)24-17-23(10-13-25-24)27-14-11-22(12-15-27)26-18(2)3/h8-10,13,16-17,22,26H,2,5-7,11-12,14-15H2,1,3-4H3
InChIKeyBEJVNFPVWHKIJG-UHFFFAOYSA-N
XLogP5.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine?
The IUPAC name of 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine (CID 153349341) is 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine is C=C(C)NC1CCN(c2ccnc(-c3ccc(CCCC)c(C)c3)c2)CC1.
What is the InChIKey of 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine?
The InChIKey is BEJVNFPVWHKIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-5-6-7-20-8-9-21(16-19(20)4)24-17-23(10-13-25-24)27-14-11-22(12-15-27)26-18(2)3/h8-10,13,16-17,22,26H,2,5-7,11-12,14-15H2,1,3-4H3.
What are the key properties of 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine?
1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine has a molecular weight of 363.55 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine is sourced from PubChem (CID 153349341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).