4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine

C22H29NO — CID 154211162

IUPAC4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine
SMILESCCN1C(C)CC(OC(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C22H29NO/c1-4-23-17(2)15-21(16-18(23)3)24-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21-22H,4,15-16H2,1-3H3
InChIKeyBEVKMWGXTCLFDM-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.05
Rot. Bonds5

About 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine

4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine (PubChem CID 154211162) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine
PubChem CID154211162
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine
SMILESCCN1C(C)CC(OC(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C22H29NO/c1-4-23-17(2)15-21(16-18(23)3)24-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21-22H,4,15-16H2,1-3H3
InChIKeyBEVKMWGXTCLFDM-UHFFFAOYSA-N
XLogP5.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
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4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]benzonitrile
CID 10336882
(3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 71452745
(1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
CID 8584
4-benzhydryloxy-1-propan-2-ylpiperidine
CID 59898734
(3R,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 45263257
3-benzhydryloxyazetidine;hydrochloride
CID 131885172
8-benzyl-3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 12068491
3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
CID 3025364
4-benzhydryloxythiane
CID 826489
(1S,5R)-3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
CID 118984390
8-benzyl-3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 45265393

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine?
The IUPAC name of 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine (CID 154211162) is 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine.
What is the SMILES notation for 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine?
The canonical SMILES for 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine is CCN1C(C)CC(OC(c2ccccc2)c2ccccc2)CC1C.
What is the InChIKey of 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine?
The InChIKey is BEVKMWGXTCLFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-4-23-17(2)15-21(16-18(23)3)24-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21-22H,4,15-16H2,1-3H3.
What are the key properties of 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine?
4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine has a molecular weight of 323.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine is sourced from PubChem (CID 154211162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).