(3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride

C25H27Cl2NO — CID 172816174

IUPAC(3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride
SMILESCC(c1ccccc1)N1CC[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C25H26ClNO.ClH/c1-19(20-8-4-2-5-9-20)27-17-16-25(28-23-14-12-22(26)13-15-23)24(18-27)21-10-6-3-7-11-21;/h2-15,19,24-25H,16-18H2,1H3;1H/t19?,24-,25+;/m0./s1
InChIKeySVIYXQBSAPLSAB-MSAZGOLZSA-N
MW428.40 g/mol
LogP6.76
Rot. Bonds5

About (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride

(3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride (PubChem CID 172816174) has the molecular formula C25H27Cl2NO and a molecular weight of 428.40 g/mol. Its IUPAC name is (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride
PubChem CID172816174
Molecular FormulaC25H27Cl2NO
Molecular Weight428.40 g/mol
Exact Mass427.15
IUPAC Name(3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride
SMILESCC(c1ccccc1)N1CC[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C25H26ClNO.ClH/c1-19(20-8-4-2-5-9-20)27-17-16-25(28-23-14-12-22(26)13-15-23)24(18-27)21-10-6-3-7-11-21;/h2-15,19,24-25H,16-18H2,1H3;1H/t19?,24-,25+;/m0./s1
InChIKeySVIYXQBSAPLSAB-MSAZGOLZSA-N
XLogP6.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride
CID 12788440
(3R,4S)-4-(4-fluorophenoxy)-1-methyl-3-phenylpiperidine
CID 12788468
4-[1-[1-(2-aminophenyl)propan-2-yl]-3-phenylpiperidin-4-yl]oxybenzonitrile
CID 20553803
4-[(3S,4R)-1-[1-(2-aminophenyl)propan-2-yl]-3-phenylpiperidin-4-yl]oxybenzonitrile
CID 54118638
(3S,4S)-4-(3-chlorophenoxy)-1-methyl-3-phenylpiperidine
CID 54069966
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
CID 23196644
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-(2-methylphenyl)-2-[(3R,4S)-3-phenyl-4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70514357
(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
CID 102227667
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride?
The IUPAC name of (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride (CID 172816174) is (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride?
The canonical SMILES for (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride is CC(c1ccccc1)N1CC[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride?
The InChIKey is SVIYXQBSAPLSAB-MSAZGOLZSA-N. The full InChI is InChI=1S/C25H26ClNO.ClH/c1-19(20-8-4-2-5-9-20)27-17-16-25(28-23-14-12-22(26)13-15-23)24(18-27)21-10-6-3-7-11-21;/h2-15,19,24-25H,16-18H2,1H3;1H/t19?,24-,25+;/m0./s1.
What are the key properties of (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride?
(3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride has a molecular weight of 428.40 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-chlorophenoxy)-3-phenyl-1-(1-phenylethyl)piperidine;hydrochloride is sourced from PubChem (CID 172816174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).