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

C18H30N2O — CID 103505314

IUPAC1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
SMILESCOc1ccccc1C(C(C)N)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-13(2)15-9-11-20(12-10-15)18(14(3)19)16-7-5-6-8-17(16)21-4/h5-8,13-15,18H,9-12,19H2,1-4H3
InChIKeyKZQIIBXRLACYJB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds5

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

1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine (PubChem CID 103505314) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
PubChem CID103505314
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
SMILESCOc1ccccc1C(C(C)N)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-13(2)15-9-11-20(12-10-15)18(14(3)19)16-7-5-6-8-17(16)21-4/h5-8,13-15,18H,9-12,19H2,1-4H3
InChIKeyKZQIIBXRLACYJB-UHFFFAOYSA-N
XLogP3.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-amino-1-(2-methoxyphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 115964958
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956086
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methoxyphenyl)propan-2-amine
CID 63156671
1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55022025
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(2-methoxyphenyl)propan-2-amine
CID 107453465
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
1-(2-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55018678

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine (CID 103505314) is 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine is COc1ccccc1C(C(C)N)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine?
The InChIKey is KZQIIBXRLACYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)15-9-11-20(12-10-15)18(14(3)19)16-7-5-6-8-17(16)21-4/h5-8,13-15,18H,9-12,19H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine?
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 103505314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).