1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine

C16H26N2O — CID 62534235

IUPAC1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(C(C)c2cc(C)ccc2OC)C1
InChIInChI=1S/C16H26N2O/c1-12-7-8-16(19-4)15(10-12)13(2)18-9-5-6-14(11-18)17-3/h7-8,10,13-14,17H,5-6,9,11H2,1-4H3
InChIKeyMSLJZQYBTXJYGV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds4

About 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine

1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine (PubChem CID 62534235) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
PubChem CID62534235
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(C(C)c2cc(C)ccc2OC)C1
InChIInChI=1S/C16H26N2O/c1-12-7-8-16(19-4)15(10-12)13(2)18-9-5-6-14(11-18)17-3/h7-8,10,13-14,17H,5-6,9,11H2,1-4H3
InChIKeyMSLJZQYBTXJYGV-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304050
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072841
3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
CID 71124578
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313684
2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575488
N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine
CID 63992505
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 83155274
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine (CID 62534235) is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine is CNC1CCCN(C(C)c2cc(C)ccc2OC)C1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine?
The InChIKey is MSLJZQYBTXJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-7-8-16(19-4)15(10-12)13(2)18-9-5-6-14(11-18)17-3/h7-8,10,13-14,17H,5-6,9,11H2,1-4H3.
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine?
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 62534235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).