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

C28H34N2O — CID 118322606

IUPAC[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCN(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O/c1-29(2)27-15-13-23(14-16-27)17-20-30-21-18-26(19-22-30)28(31,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3
InChIKeyRHFDKSDQWVGGQG-UHFFFAOYSA-N
MW414.59 g/mol
LogP4.94
Rot. Bonds7

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

[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 118322606) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID118322606
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCN(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O/c1-29(2)27-15-13-23(14-16-27)17-20-30-21-18-26(19-22-30)28(31,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3
InChIKeyRHFDKSDQWVGGQG-UHFFFAOYSA-N
XLogP4.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol (CID 118322606) is [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol is CN(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is RHFDKSDQWVGGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-29(2)27-15-13-23(14-16-27)17-20-30-21-18-26(19-22-30)28(31,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3.
What are the key properties of [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 414.59 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 118322606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).