5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine

C17H28N2O — CID 83994161

IUPAC5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
SMILESCOc1cccc(C2CC(NCC(C)C)CN(C)C2)c1
InChIInChI=1S/C17H28N2O/c1-13(2)10-18-16-8-15(11-19(3)12-16)14-6-5-7-17(9-14)20-4/h5-7,9,13,15-16,18H,8,10-12H2,1-4H3
InChIKeyYCKYVHVKJDDBFT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.73
Rot. Bonds5

About 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine

5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine (PubChem CID 83994161) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
PubChem CID83994161
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
SMILESCOc1cccc(C2CC(NCC(C)C)CN(C)C2)c1
InChIInChI=1S/C17H28N2O/c1-13(2)10-18-16-8-15(11-19(3)12-16)14-6-5-7-17(9-14)20-4/h5-7,9,13,15-16,18H,8,10-12H2,1-4H3
InChIKeyYCKYVHVKJDDBFT-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 83996237
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994200
2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol
CID 106434840
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902325
N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
CID 83993474

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine?
The IUPAC name of 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine (CID 83994161) is 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine is COc1cccc(C2CC(NCC(C)C)CN(C)C2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine?
The InChIKey is YCKYVHVKJDDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)10-18-16-8-15(11-19(3)12-16)14-6-5-7-17(9-14)20-4/h5-7,9,13,15-16,18H,8,10-12H2,1-4H3.
What are the key properties of 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine?
5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine has a molecular weight of 276.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine is sourced from PubChem (CID 83994161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).