(2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine

C30H29NO — CID 101230525

IUPAC(2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine
SMILESc1ccc(C(O[C@@H]2CCN(c3ccccc3)[C@H](c3ccccc3)C2)c2ccccc2)cc1
InChIInChI=1S/C30H29NO/c1-5-13-24(14-6-1)29-23-28(21-22-31(29)27-19-11-4-12-20-27)32-30(25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-20,28-30H,21-23H2/t28-,29+/m1/s1
InChIKeyILDWELVCCUZQLD-WDYNHAJCSA-N
MW419.57 g/mol
LogP7.20
Rot. Bonds6

About (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine

(2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine (PubChem CID 101230525) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine.

Molecular Properties

Compound Name(2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine
PubChem CID101230525
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC Name(2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine
SMILESc1ccc(C(O[C@@H]2CCN(c3ccccc3)[C@H](c3ccccc3)C2)c2ccccc2)cc1
InChIInChI=1S/C30H29NO/c1-5-13-24(14-6-1)29-23-28(21-22-31(29)27-19-11-4-12-20-27)32-30(25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-20,28-30H,21-23H2/t28-,29+/m1/s1
InChIKeyILDWELVCCUZQLD-WDYNHAJCSA-N
XLogP7.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine?
The IUPAC name of (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine (CID 101230525) is (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine.
What is the SMILES notation for (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine?
The canonical SMILES for (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine is c1ccc(C(O[C@@H]2CCN(c3ccccc3)[C@H](c3ccccc3)C2)c2ccccc2)cc1.
What is the InChIKey of (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine?
The InChIKey is ILDWELVCCUZQLD-WDYNHAJCSA-N. The full InChI is InChI=1S/C30H29NO/c1-5-13-24(14-6-1)29-23-28(21-22-31(29)27-19-11-4-12-20-27)32-30(25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-20,28-30H,21-23H2/t28-,29+/m1/s1.
What are the key properties of (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine?
(2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine has a molecular weight of 419.57 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-benzhydryloxy-1,2-diphenylpiperidine is sourced from PubChem (CID 101230525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).