N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine

C21H28N2O — CID 2847340

IUPACN-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(-c3ccccc3)ccc2OC)CC1
InChIInChI=1S/C21H28N2O/c1-3-13-23-14-11-19(12-15-23)22-20-16-18(9-10-21(20)24-2)17-7-5-4-6-8-17/h4-10,16,19,22H,3,11-15H2,1-2H3
InChIKeyDIQJSVFSMHOTOY-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.65
Rot. Bonds6

About N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine

N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine (PubChem CID 2847340) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine
PubChem CID2847340
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(-c3ccccc3)ccc2OC)CC1
InChIInChI=1S/C21H28N2O/c1-3-13-23-14-11-19(12-15-23)22-20-16-18(9-10-21(20)24-2)17-7-5-4-6-8-17/h4-10,16,19,22H,3,11-15H2,1-2H3
InChIKeyDIQJSVFSMHOTOY-UHFFFAOYSA-N
XLogP4.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
2-methoxy-5-[(1-propylpiperidin-4-yl)amino]phenol
CID 43743683
N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine
CID 103411071
2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
CID 2847498
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536
2-methyl-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 71899433
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
(2-methoxy-5-phenylanilino)azanium chloride
CID 11368724

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine (CID 2847340) is N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cc(-c3ccccc3)ccc2OC)CC1.
What is the InChIKey of N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine?
The InChIKey is DIQJSVFSMHOTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-13-23-14-11-19(12-15-23)22-20-16-18(9-10-21(20)24-2)17-7-5-4-6-8-17/h4-10,16,19,22H,3,11-15H2,1-2H3.
What are the key properties of N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine?
N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 2847340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).