3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol

C27H32N2O — CID 90656707

IUPAC3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol
SMILESCN(CCCN1CCC(c2ccccc2)(c2ccccc2)CC1)c1cccc(O)c1
InChIInChI=1S/C27H32N2O/c1-28(25-14-8-15-26(30)22-25)18-9-19-29-20-16-27(17-21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-8,10-15,22,30H,9,16-21H2,1H3
InChIKeyAFDSSVNGSLDLQA-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.30
Rot. Bonds7

About 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol

3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol (PubChem CID 90656707) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol.

Molecular Properties

Compound Name3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol
PubChem CID90656707
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol
SMILESCN(CCCN1CCC(c2ccccc2)(c2ccccc2)CC1)c1cccc(O)c1
InChIInChI=1S/C27H32N2O/c1-28(25-14-8-15-26(30)22-25)18-9-19-29-20-16-27(17-21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-8,10-15,22,30H,9,16-21H2,1H3
InChIKeyAFDSSVNGSLDLQA-UHFFFAOYSA-N
XLogP5.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol?
The IUPAC name of 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol (CID 90656707) is 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol.
What is the SMILES notation for 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol?
The canonical SMILES for 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol is CN(CCCN1CCC(c2ccccc2)(c2ccccc2)CC1)c1cccc(O)c1.
What is the InChIKey of 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol?
The InChIKey is AFDSSVNGSLDLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-28(25-14-8-15-26(30)22-25)18-9-19-29-20-16-27(17-21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-8,10-15,22,30H,9,16-21H2,1H3.
What are the key properties of 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol?
3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol has a molecular weight of 400.57 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol is sourced from PubChem (CID 90656707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).