(4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine

C26H29NO — CID 44560347

IUPAC(4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine
SMILESCC1(C)C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C26H29NO/c1-26(2)20-24(18-19-27(26)23-16-10-5-11-17-23)28-25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3/t24-/m0/s1
InChIKeyABRKAJGWYBBROK-DEOSSOPVSA-N
MW371.52 g/mol
LogP6.24
Rot. Bonds5

About (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine

(4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine (PubChem CID 44560347) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine.

Molecular Properties

Compound Name(4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine
PubChem CID44560347
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name(4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine
SMILESCC1(C)C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C26H29NO/c1-26(2)20-24(18-19-27(26)23-16-10-5-11-17-23)28-25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3/t24-/m0/s1
InChIKeyABRKAJGWYBBROK-DEOSSOPVSA-N
XLogP6.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

transpDMA
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3-(Biphenyl-3-yl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
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CID 25183315
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CID 25183604
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CID 44231031

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine?
The IUPAC name of (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine (CID 44560347) is (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine.
What is the SMILES notation for (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine?
The canonical SMILES for (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine is CC1(C)C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine?
The InChIKey is ABRKAJGWYBBROK-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29NO/c1-26(2)20-24(18-19-27(26)23-16-10-5-11-17-23)28-25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3/t24-/m0/s1.
What are the key properties of (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine?
(4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine has a molecular weight of 371.52 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzhydryloxy-2,2-dimethyl-1-phenylpiperidine is sourced from PubChem (CID 44560347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).