2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine

C17H28N2O — CID 43372809

IUPAC2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCOC1CCN(CC(N)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)14-4-6-15(7-5-14)17(18)12-19-10-8-16(20-3)9-11-19/h4-7,13,16-17H,8-12,18H2,1-3H3
InChIKeyHDTCODKFXUUJOQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds5

About 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine

2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43372809) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43372809
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCOC1CCN(CC(N)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)14-4-6-15(7-5-14)17(18)12-19-10-8-16(20-3)9-11-19/h4-7,13,16-17H,8-12,18H2,1-3H3
InChIKeyHDTCODKFXUUJOQ-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 103532357
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
CID 61441376
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine (CID 43372809) is 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine is COC1CCN(CC(N)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is HDTCODKFXUUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)14-4-6-15(7-5-14)17(18)12-19-10-8-16(20-3)9-11-19/h4-7,13,16-17H,8-12,18H2,1-3H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine?
2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43372809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).