4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine

C15H24N2O — CID 83546674

IUPAC4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
SMILESCOc1cccc(C2CCN(C(C)C)CC2N)c1
InChIInChI=1S/C15H24N2O/c1-11(2)17-8-7-14(15(16)10-17)12-5-4-6-13(9-12)18-3/h4-6,9,11,14-15H,7-8,10,16H2,1-3H3
InChIKeyAOEIYVYMVLTBND-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds3

About 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine

4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine (PubChem CID 83546674) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
PubChem CID83546674
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
SMILESCOc1cccc(C2CCN(C(C)C)CC2N)c1
InChIInChI=1S/C15H24N2O/c1-11(2)17-8-7-14(15(16)10-17)12-5-4-6-13(9-12)18-3/h4-6,9,11,14-15H,7-8,10,16H2,1-3H3
InChIKeyAOEIYVYMVLTBND-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196562
4-(2-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546673
(3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride
CID 154897459
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octane
CID 19802591
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
4-(2-methylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83539442
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 178192247
tert-butyl (3S,4S)-4-amino-3-(3-methoxyphenyl)piperidine-1-carboxylate
CID 99943446

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine (CID 83546674) is 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine is COc1cccc(C2CCN(C(C)C)CC2N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine?
The InChIKey is AOEIYVYMVLTBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-8-7-14(15(16)10-17)12-5-4-6-13(9-12)18-3/h4-6,9,11,14-15H,7-8,10,16H2,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine?
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83546674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).