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

C17H28N2 — CID 43180363

IUPAC2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)N2CCCCC2C)cc1
InChIInChI=1S/C17H28N2/c1-13(2)15-7-9-16(10-8-15)17(12-18)19-11-5-4-6-14(19)3/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeyQQMTXKYUVIRKBM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.68
Rot. Bonds4

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

2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43180363) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID43180363
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)N2CCCCC2C)cc1
InChIInChI=1S/C17H28N2/c1-13(2)15-7-9-16(10-8-15)17(12-18)19-11-5-4-6-14(19)3/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeyQQMTXKYUVIRKBM-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881976
2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82040647
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine
CID 114937183
2-(5-chlorothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43146867
2-(2,6-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16786148
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
2-(2-methylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 60973443
2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 54977741
2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 114937035
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 43180363) is 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(CN)N2CCCCC2C)cc1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is QQMTXKYUVIRKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)15-7-9-16(10-8-15)17(12-18)19-11-5-4-6-14(19)3/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43180363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).