(2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine

C29H35NO — CID 24874572

IUPAC(2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine
SMILESCC(C)[C@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1CCc1ccccc1
InChIInChI=1S/C29H35NO/c1-23(2)28-22-27(19-21-30(28)20-18-24-12-6-3-7-13-24)31-29(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,23,27-29H,18-22H2,1-2H3/t27-,28+/m0/s1
InChIKeyQZHRCCSPVWFUAC-WUFINQPMSA-N
MW413.61 g/mol
LogP6.52
Rot. Bonds8

About (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine

(2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine (PubChem CID 24874572) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine
PubChem CID24874572
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name(2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine
SMILESCC(C)[C@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1CCc1ccccc1
InChIInChI=1S/C29H35NO/c1-23(2)28-22-27(19-21-30(28)20-18-24-12-6-3-7-13-24)31-29(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,23,27-29H,18-22H2,1-2H3/t27-,28+/m0/s1
InChIKeyQZHRCCSPVWFUAC-WUFINQPMSA-N
XLogP6.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine?
The IUPAC name of (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine (CID 24874572) is (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine.
What is the SMILES notation for (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine?
The canonical SMILES for (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine is CC(C)[C@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1CCc1ccccc1.
What is the InChIKey of (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine?
The InChIKey is QZHRCCSPVWFUAC-WUFINQPMSA-N. The full InChI is InChI=1S/C29H35NO/c1-23(2)28-22-27(19-21-30(28)20-18-24-12-6-3-7-13-24)31-29(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,23,27-29H,18-22H2,1-2H3/t27-,28+/m0/s1.
What are the key properties of (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine?
(2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine has a molecular weight of 413.61 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine is sourced from PubChem (CID 24874572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).