1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol

C26H28ClNO2 — CID 46231272

IUPAC1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28ClNO2/c27-24-13-11-23(12-14-24)26(29)15-17-28(18-16-26)19-20-30-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25,29H,15-20H2
InChIKeySPRQMRFLMQMTIP-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.43
Rot. Bonds7

About 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol

1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 46231272) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID46231272
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC Name1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28ClNO2/c27-24-13-11-23(12-14-24)26(29)15-17-28(18-16-26)19-20-30-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25,29H,15-20H2
InChIKeySPRQMRFLMQMTIP-UHFFFAOYSA-N
XLogP5.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol (CID 46231272) is 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is SPRQMRFLMQMTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO2/c27-24-13-11-23(12-14-24)26(29)15-17-28(18-16-26)19-20-30-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25,29H,15-20H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol?
1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 421.97 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 46231272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).