N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine

C17H26N2O — CID 83996237

IUPACN-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
SMILESCOc1cccc(C2CC(NCC3CC3)CN(C)C2)c1
InChIInChI=1S/C17H26N2O/c1-19-11-15(14-4-3-5-17(9-14)20-2)8-16(12-19)18-10-13-6-7-13/h3-5,9,13,15-16,18H,6-8,10-12H2,1-2H3
InChIKeyBHJURAVNXIHHCA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.48
Rot. Bonds5

About N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine

N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine (PubChem CID 83996237) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
PubChem CID83996237
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
SMILESCOc1cccc(C2CC(NCC3CC3)CN(C)C2)c1
InChIInChI=1S/C17H26N2O/c1-19-11-15(14-4-3-5-17(9-14)20-2)8-16(12-19)18-10-13-6-7-13/h3-5,9,13,15-16,18H,6-8,10-12H2,1-2H3
InChIKeyBHJURAVNXIHHCA-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83996532
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856760
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
CID 83993474

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine (CID 83996237) is N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine is COc1cccc(C2CC(NCC3CC3)CN(C)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine?
The InChIKey is BHJURAVNXIHHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-11-15(14-4-3-5-17(9-14)20-2)8-16(12-19)18-10-13-6-7-13/h3-5,9,13,15-16,18H,6-8,10-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine?
N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 83996237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).