4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine

C19H21Cl2NO — CID 25263318

IUPAC4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine
SMILESCc1c(OCc2ccc(Cl)c(Cl)c2)cccc1C1CCNCC1
InChIInChI=1S/C19H21Cl2NO/c1-13-16(15-7-9-22-10-8-15)3-2-4-19(13)23-12-14-5-6-17(20)18(21)11-14/h2-6,11,15,22H,7-10,12H2,1H3
InChIKeyQPXKAMQOXFPFPC-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.35
Rot. Bonds4

About 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine

4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine (PubChem CID 25263318) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine
PubChem CID25263318
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine
SMILESCc1c(OCc2ccc(Cl)c(Cl)c2)cccc1C1CCNCC1
InChIInChI=1S/C19H21Cl2NO/c1-13-16(15-7-9-22-10-8-15)3-2-4-19(13)23-12-14-5-6-17(20)18(21)11-14/h2-6,11,15,22H,7-10,12H2,1H3
InChIKeyQPXKAMQOXFPFPC-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263313
4-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263314
4-{2-Methyl-3-[(3-methylphenyl)methoxy]phenyl}piperidine
CID 25263316
4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263322
4-{3-[(1R)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263323
4-{3-[1-(3-Chlorophenyl)propoxy]-2-methylphenyl}piperidine
CID 25263324
4-[3-(3-Chlorophenoxymethyl)-2-methylphenyl]piperidine
CID 25263342
4-(2-(3-Chlorophenoxy)phenyl)piperidine
CID 45483512
3-[2-[2-(3,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 3055349
4-[(4-Chloro-phenyl)-phenoxy-methyl]-piperidine
CID 9817856
4-[(5-Chloro-2-methyl-phenoxy)-phenyl-methyl]-piperidine
CID 44367721
4-[(3-Chloro-2-methyl-phenoxy)-phenyl-methyl]-piperidine
CID 44367722

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine?
The IUPAC name of 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine (CID 25263318) is 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine.
What is the SMILES notation for 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine?
The canonical SMILES for 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine is Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1C1CCNCC1.
What is the InChIKey of 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine?
The InChIKey is QPXKAMQOXFPFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-13-16(15-7-9-22-10-8-15)3-2-4-19(13)23-12-14-5-6-17(20)18(21)11-14/h2-6,11,15,22H,7-10,12H2,1H3.
What are the key properties of 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine?
4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine has a molecular weight of 350.29 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl]piperidine is sourced from PubChem (CID 25263318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).