[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol

C29H36N2O — CID 118322602

IUPAC[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCC(C)(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C29H36N2O/c1-28(2,3)27-15-14-23(22-30-27)16-19-31-20-17-26(18-21-31)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-15,22,26,32H,16-21H2,1-3H3
InChIKeyCYDSJCWAOKKNCZ-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.57
Rot. Bonds6

About [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol

[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 118322602) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID118322602
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC Name[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCC(C)(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C29H36N2O/c1-28(2,3)27-15-14-23(22-30-27)16-19-31-20-17-26(18-21-31)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-15,22,26,32H,16-21H2,1-3H3
InChIKeyCYDSJCWAOKKNCZ-UHFFFAOYSA-N
XLogP5.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol (CID 118322602) is [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol is CC(C)(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cn1.
What is the InChIKey of [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is CYDSJCWAOKKNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O/c1-28(2,3)27-15-14-23(22-30-27)16-19-31-20-17-26(18-21-31)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-15,22,26,32H,16-21H2,1-3H3.
What are the key properties of [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 428.62 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 118322602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).