[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol

C27H31NO — CID 45485529

IUPAC[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO/c1-22-12-14-23(15-13-22)16-19-28-20-17-26(18-21-28)27(29,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,29H,16-21H2,1H3
InChIKeyJCHIUKROMYHWKE-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.19
Rot. Bonds6

About [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol

[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 45485529) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID45485529
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO/c1-22-12-14-23(15-13-22)16-19-28-20-17-26(18-21-28)27(29,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,29H,16-21H2,1H3
InChIKeyJCHIUKROMYHWKE-UHFFFAOYSA-N
XLogP5.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol (CID 45485529) is [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol is Cc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is JCHIUKROMYHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-22-12-14-23(15-13-22)16-19-28-20-17-26(18-21-28)27(29,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,29H,16-21H2,1H3.
What are the key properties of [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 385.55 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 45485529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).