(2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine

C27H31NO — CID 504086

IUPAC(2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C27H31NO/c1-21(2)26-20-25(18-19-28(26)24-16-10-5-11-17-24)29-27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25-27H,18-20H2,1-2H3/t25-,26-/m0/s1
InChIKeyJJYFATIJRSJXEC-UIOOFZCWSA-N
MW385.55 g/mol
LogP6.49
Rot. Bonds6

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

(2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine (PubChem CID 504086) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine
PubChem CID504086
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name(2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C27H31NO/c1-21(2)26-20-25(18-19-28(26)24-16-10-5-11-17-24)29-27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25-27H,18-20H2,1-2H3/t25-,26-/m0/s1
InChIKeyJJYFATIJRSJXEC-UIOOFZCWSA-N
XLogP6.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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transpDMA
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1-Benzhydryl-4-ethoxy-4-phenylpiperidine
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1-Benzhydryl-4-methoxy-4-phenylpiperidine
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1-Benzhydryl-4-phenyl-4-propoxypiperidine
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CID 9909648
1-Benzyl-4-(2-(diphenylmethoxy)ethyl)piperidine
CID 9952105
4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-phenylamine
CID 10501178
4-Benzhydryloxymethyl-1-benzyl-piperidine
CID 10761755
3-(2'-Aminobenzhydryloxy) tropane
CID 23615560
3-(Biphenyl-3-yl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183175

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine?
The IUPAC name of (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine (CID 504086) is (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine.
What is the SMILES notation for (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine?
The canonical SMILES for (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine is CC(C)[C@@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine?
The InChIKey is JJYFATIJRSJXEC-UIOOFZCWSA-N. The full InChI is InChI=1S/C27H31NO/c1-21(2)26-20-25(18-19-28(26)24-16-10-5-11-17-24)29-27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25-27H,18-20H2,1-2H3/t25-,26-/m0/s1.
What are the key properties of (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine?
(2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine has a molecular weight of 385.55 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-benzhydryloxy-1-phenyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 504086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).