1-(3-methoxyphenyl)piperidin-3-amine

C12H18N2O — CID 54594179

IUPAC1-(3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cccc(N2CCCC(N)C2)c1
InChIInChI=1S/C12H18N2O/c1-15-12-6-2-5-11(8-12)14-7-3-4-10(13)9-14/h2,5-6,8,10H,3-4,7,9,13H2,1H3
InChIKeyPBCVDMFQFFJJSO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.62
Rot. Bonds2

About 1-(3-methoxyphenyl)piperidin-3-amine

1-(3-methoxyphenyl)piperidin-3-amine (PubChem CID 54594179) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)piperidin-3-amine
PubChem CID54594179
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cccc(N2CCCC(N)C2)c1
InChIInChI=1S/C12H18N2O/c1-15-12-6-2-5-11(8-12)14-7-3-4-10(13)9-14/h2,5-6,8,10H,3-4,7,9,13H2,1H3
InChIKeyPBCVDMFQFFJJSO-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)piperidin-3-amine?
The IUPAC name of 1-(3-methoxyphenyl)piperidin-3-amine (CID 54594179) is 1-(3-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for 1-(3-methoxyphenyl)piperidin-3-amine is COc1cccc(N2CCCC(N)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)piperidin-3-amine?
The InChIKey is PBCVDMFQFFJJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-6-2-5-11(8-12)14-7-3-4-10(13)9-14/h2,5-6,8,10H,3-4,7,9,13H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)piperidin-3-amine?
1-(3-methoxyphenyl)piperidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 54594179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).