[4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol

C27H31NO2 — CID 57265561

IUPAC[4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol
SMILESOCc1ccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H31NO2/c29-21-23-15-13-22(14-16-23)17-19-28-18-7-12-26(20-28)30-27(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-6,8-11,13-16,26-27,29H,7,12,17-21H2
InChIKeyHPTUVFPQGJMJLX-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.99
Rot. Bonds8

About [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol

[4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol (PubChem CID 57265561) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol
PubChem CID57265561
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name[4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol
SMILESOCc1ccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H31NO2/c29-21-23-15-13-22(14-16-23)17-19-28-18-7-12-26(20-28)30-27(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-6,8-11,13-16,26-27,29H,7,12,17-21H2
InChIKeyHPTUVFPQGJMJLX-UHFFFAOYSA-N
XLogP4.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol?
The IUPAC name of [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol (CID 57265561) is [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol?
The canonical SMILES for [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol is OCc1ccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol?
The InChIKey is HPTUVFPQGJMJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c29-21-23-15-13-22(14-16-23)17-19-28-18-7-12-26(20-28)30-27(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-6,8-11,13-16,26-27,29H,7,12,17-21H2.
What are the key properties of [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol?
[4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol has a molecular weight of 401.55 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol is sourced from PubChem (CID 57265561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).