1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone

C28H31NO2 — CID 10549679

IUPAC1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31NO2/c30-27(22-24-10-4-1-5-11-24)29-19-16-23(17-20-29)18-21-31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,28H,16-22H2
InChIKeyUGHZFJPSXAOFJJ-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.66
Rot. Bonds8

About 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone

1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 10549679) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID10549679
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Name1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31NO2/c30-27(22-24-10-4-1-5-11-24)29-19-16-23(17-20-29)18-21-31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,28H,16-22H2
InChIKeyUGHZFJPSXAOFJJ-UHFFFAOYSA-N
XLogP5.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone (CID 10549679) is 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is UGHZFJPSXAOFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c30-27(22-24-10-4-1-5-11-24)29-19-16-23(17-20-29)18-21-31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,28H,16-22H2.
What are the key properties of 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone?
1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 413.56 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 10549679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).