2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine

C12H21N3 — CID 82040647

IUPAC2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine
SMILESCC1CCCCN1C(CN)c1ccc[nH]1
InChIInChI=1S/C12H21N3/c1-10-5-2-3-8-15(10)12(9-13)11-6-4-7-14-11/h4,6-7,10,12,14H,2-3,5,8-9,13H2,1H3
InChIKeyISYONJQTJJPUEO-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.89
Rot. Bonds3

About 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine

2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine (PubChem CID 82040647) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine
PubChem CID82040647
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine
SMILESCC1CCCCN1C(CN)c1ccc[nH]1
InChIInChI=1S/C12H21N3/c1-10-5-2-3-8-15(10)12(9-13)11-6-4-7-14-11/h4,6-7,10,12,14H,2-3,5,8-9,13H2,1H3
InChIKeyISYONJQTJJPUEO-UHFFFAOYSA-N
XLogP1.89
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
2-(2,6-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16786148
2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 63667059
2-(2-methylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 60973443
2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 54977741
2-(5-chlorothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43146867
2-(3-bromofuran-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 106885545
2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine
CID 114937183
2-isoquinolin-4-yl-2-(2-methylpiperidin-1-yl)ethanamine
CID 104504036
2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 114053992
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881976

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine (CID 82040647) is 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine is CC1CCCCN1C(CN)c1ccc[nH]1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine?
The InChIKey is ISYONJQTJJPUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-5-2-3-8-15(10)12(9-13)11-6-4-7-14-11/h4,6-7,10,12,14H,2-3,5,8-9,13H2,1H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine?
2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 82040647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).