N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine

C22H29ClN2O — CID 57145177

IUPACN-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H29ClN2O/c1-2-24-22(18-8-10-20(23)11-9-18)19-12-14-25(15-13-19)16-17-26-21-6-4-3-5-7-21/h3-11,19,22,24H,2,12-17H2,1H3
InChIKeyJDLNMCIZLZBIQY-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.78
Rot. Bonds8

About N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine

N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 57145177) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID57145177
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC NameN-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H29ClN2O/c1-2-24-22(18-8-10-20(23)11-9-18)19-12-14-25(15-13-19)16-17-26-21-6-4-3-5-7-21/h3-11,19,22,24H,2,12-17H2,1H3
InChIKeyJDLNMCIZLZBIQY-UHFFFAOYSA-N
XLogP4.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-[1-(2-phenoxyethyl)piperidin-4-yl]ethanamine
CID 121413322
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
CID 145107785
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 138996283
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
CID 39746922
4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294474
3,4-difluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline
CID 19771927
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine (CID 57145177) is N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine is CCNC(c1ccc(Cl)cc1)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is JDLNMCIZLZBIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-2-24-22(18-8-10-20(23)11-9-18)19-12-14-25(15-13-19)16-17-26-21-6-4-3-5-7-21/h3-11,19,22,24H,2,12-17H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine?
N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 372.94 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 57145177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).