N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine

C22H29ClN2O2 — CID 110826529

IUPACN-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(CNCc2ccc(Cl)cc2)N2CCCCC2)cc1OC
InChIInChI=1S/C22H29ClN2O2/c1-26-21-11-8-18(14-22(21)27-2)20(25-12-4-3-5-13-25)16-24-15-17-6-9-19(23)10-7-17/h6-11,14,20,24H,3-5,12-13,15-16H2,1-2H3
InChIKeyOZBCKMPCUAOFHW-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.67
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine

N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine (PubChem CID 110826529) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
PubChem CID110826529
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(CNCc2ccc(Cl)cc2)N2CCCCC2)cc1OC
InChIInChI=1S/C22H29ClN2O2/c1-26-21-11-8-18(14-22(21)27-2)20(25-12-4-3-5-13-25)16-24-15-17-6-9-19(23)10-7-17/h6-11,14,20,24H,3-5,12-13,15-16H2,1-2H3
InChIKeyOZBCKMPCUAOFHW-UHFFFAOYSA-N
XLogP4.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine
CID 110826980
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60590059
4-[[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]benzonitrile
CID 119137893
2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110622752
N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine
CID 110622738
5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol
CID 119123506
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine (CID 110826529) is N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine is COc1ccc(C(CNCc2ccc(Cl)cc2)N2CCCCC2)cc1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is OZBCKMPCUAOFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-26-21-11-8-18(14-22(21)27-2)20(25-12-4-3-5-13-25)16-24-15-17-6-9-19(23)10-7-17/h6-11,14,20,24H,3-5,12-13,15-16H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine?
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 388.94 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 110826529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).