1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine

C26H31N3 — CID 164619752

IUPAC1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H31N3/c1-17-9-18(2)12-21(11-17)24-15-28-16-25(22-13-19(3)10-20(4)14-22)26(24)29-7-5-23(27)6-8-29/h9-16,23H,5-8,27H2,1-4H3
InChIKeyBMJNCZVLDGKCIN-UHFFFAOYSA-N
MW385.56 g/mol
LogP5.58
Rot. Bonds3

About 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine

1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine (PubChem CID 164619752) has the molecular formula C26H31N3 and a molecular weight of 385.56 g/mol. Its IUPAC name is 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
PubChem CID164619752
Molecular FormulaC26H31N3
Molecular Weight385.56 g/mol
Exact Mass385.25
IUPAC Name1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H31N3/c1-17-9-18(2)12-21(11-17)24-15-28-16-25(22-13-19(3)10-20(4)14-22)26(24)29-7-5-23(27)6-8-29/h9-16,23H,5-8,27H2,1-4H3
InChIKeyBMJNCZVLDGKCIN-UHFFFAOYSA-N
XLogP5.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine (CID 164619752) is 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine is Cc1cc(C)cc(-c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is BMJNCZVLDGKCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3/c1-17-9-18(2)12-21(11-17)24-15-28-16-25(22-13-19(3)10-20(4)14-22)26(24)29-7-5-23(27)6-8-29/h9-16,23H,5-8,27H2,1-4H3.
What are the key properties of 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 385.56 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 164619752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).