3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine

C16H26N2O — CID 84746685

IUPAC3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCOc1cccc(CC(C)(CN)N2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-16(13-17,18-9-4-3-5-10-18)12-14-7-6-8-15(11-14)19-2/h6-8,11H,3-5,9-10,12-13,17H2,1-2H3
InChIKeyKJUNLOORBABYDC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine

3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 84746685) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID84746685
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCOc1cccc(CC(C)(CN)N2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-16(13-17,18-9-4-3-5-10-18)12-14-7-6-8-15(11-14)19-2/h6-8,11H,3-5,9-10,12-13,17H2,1-2H3
InChIKeyKJUNLOORBABYDC-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 84752180
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 112566569
2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine
CID 43187198
2-(3-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 51164393
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine
CID 84747598
3-(3-fluorophenyl)-2-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 114831170
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84752139
3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79057103

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine (CID 84746685) is 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine is COc1cccc(CC(C)(CN)N2CCCCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is KJUNLOORBABYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(13-17,18-9-4-3-5-10-18)12-14-7-6-8-15(11-14)19-2/h6-8,11H,3-5,9-10,12-13,17H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 84746685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).