(3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride

C25H28ClNO2 — CID 70531581

IUPAC(3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride
SMILESCN1CC[C@@H](Oc2ccc(OCc3ccccc3)cc2)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C25H27NO2.ClH/c1-26-17-16-25(24(18-26)21-10-6-3-7-11-21)28-23-14-12-22(13-15-23)27-19-20-8-4-2-5-9-20;/h2-15,24-25H,16-19H2,1H3;1H/t24-,25+;/m0./s1
InChIKeyOJOANYIHHXBNMT-CLSOAGJSSA-N
MW409.96 g/mol
LogP5.55
Rot. Bonds6

About (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride

(3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride (PubChem CID 70531581) has the molecular formula C25H28ClNO2 and a molecular weight of 409.96 g/mol. Its IUPAC name is (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride
PubChem CID70531581
Molecular FormulaC25H28ClNO2
Molecular Weight409.96 g/mol
Exact Mass409.18
IUPAC Name(3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride
SMILESCN1CC[C@@H](Oc2ccc(OCc3ccccc3)cc2)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C25H27NO2.ClH/c1-26-17-16-25(24(18-26)21-10-6-3-7-11-21)28-23-14-12-22(13-15-23)27-19-20-8-4-2-5-9-20;/h2-15,24-25H,16-19H2,1H3;1H/t24-,25+;/m0./s1
InChIKeyOJOANYIHHXBNMT-CLSOAGJSSA-N
XLogP5.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride
CID 12788440
(E)-but-2-enedioic acid;(3R,4S)-1-methyl-4-(4-methylphenoxy)-3-phenylpiperidine
CID 86738223
(3R,4S)-4-(3-chlorophenoxy)-1-methyl-3-phenylpiperidine
CID 12788471
(3S,4S)-4-(3-chlorophenoxy)-1-methyl-3-phenylpiperidine
CID 54069966
bis(1-methyl-3-phenylpiperidin-4-yl) oxalate
CID 57154321
(3S,4R)-1-methyl-4-(3-nitrophenoxy)-3-phenylpiperidine
CID 54167138
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
CID 23196644
trans-(1R,2S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;dihydrochloride
CID 89123889
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805
1-methyl-3-phenylpiperidin-4-ol;hydrochloride
CID 70615066
(1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate
CID 3030759

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride?
The IUPAC name of (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride (CID 70531581) is (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride?
The canonical SMILES for (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride is CN1CC[C@@H](Oc2ccc(OCc3ccccc3)cc2)[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride?
The InChIKey is OJOANYIHHXBNMT-CLSOAGJSSA-N. The full InChI is InChI=1S/C25H27NO2.ClH/c1-26-17-16-25(24(18-26)21-10-6-3-7-11-21)28-23-14-12-22(13-15-23)27-19-20-8-4-2-5-9-20;/h2-15,24-25H,16-19H2,1H3;1H/t24-,25+;/m0./s1.
What are the key properties of (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride?
(3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 70531581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).