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

C22H29NO — CID 504083

IUPAC(2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1C
InChIInChI=1S/C22H29NO/c1-17(2)21-16-20(14-15-23(21)3)24-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-22H,14-16H2,1-3H3/t20-,21-/m0/s1
InChIKeyIEZNENQPFVMLHV-SFTDATJTSA-N
MW323.48 g/mol
LogP4.91
Rot. Bonds5

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

(2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine (PubChem CID 504083) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine
PubChem CID504083
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1C
InChIInChI=1S/C22H29NO/c1-17(2)21-16-20(14-15-23(21)3)24-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-22H,14-16H2,1-3H3/t20-,21-/m0/s1
InChIKeyIEZNENQPFVMLHV-SFTDATJTSA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenhydramine
CID 3100
Diphenhydramine Hydrochloride
CID 8980
Diphenylpyraline
CID 3103
med.21724, Compound Benztropine
CID 1201549
Phendimetrazine
CID 30487
Diphenylpyraline Hydrochloride
CID 66063
Glemanserin
CID 71781
1-(-2-Phenethyl)-4-phenyl-4-acetoxypiperidine
CID 60977
Oxapium Iodide
CID 168884
Deptropine
CID 203911
Blarcamesine
CID 9882189
Cogentinol
CID 6832

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine?
The IUPAC name of (2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine (CID 504083) is (2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine.
What is the SMILES notation for (2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine?
The canonical SMILES for (2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine is CC(C)[C@@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1C.
What is the InChIKey of (2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine?
The InChIKey is IEZNENQPFVMLHV-SFTDATJTSA-N. The full InChI is InChI=1S/C22H29NO/c1-17(2)21-16-20(14-15-23(21)3)24-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-22H,14-16H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of (2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine?
(2S,4S)-4-benzhydryloxy-1-methyl-2-propan-2-ylpiperidine has a molecular weight of 323.48 g/mol, XLogP of 4.91, 5 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-methyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 504083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).