2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine

C12H21N3 — CID 57173856

IUPAC2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCC1(N2CCC(CCN)CC2)C=CC=N1
InChIInChI=1S/C12H21N3/c1-12(6-2-8-14-12)15-9-4-11(3-7-13)5-10-15/h2,6,8,11H,3-5,7,9-10,13H2,1H3
InChIKeyDWGQFRRSLLZZPI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.40
Rot. Bonds3

About 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine

2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine (PubChem CID 57173856) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
PubChem CID57173856
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCC1(N2CCC(CCN)CC2)C=CC=N1
InChIInChI=1S/C12H21N3/c1-12(6-2-8-14-12)15-9-4-11(3-7-13)5-10-15/h2,6,8,11H,3-5,7,9-10,13H2,1H3
InChIKeyDWGQFRRSLLZZPI-UHFFFAOYSA-N
XLogP1.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56978901
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 56980713
N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997392
N-methyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997506
N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 56997952
N,N-diethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56998265
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylethanamine
CID 57000243
N-ethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57010683
N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57014066
N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57029224
2-[1-(2-Ethylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57032140
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylpropan-1-amine
CID 57034237

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine (CID 57173856) is 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine is CC1(N2CCC(CCN)CC2)C=CC=N1.
What is the InChIKey of 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is DWGQFRRSLLZZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(6-2-8-14-12)15-9-4-11(3-7-13)5-10-15/h2,6,8,11H,3-5,7,9-10,13H2,1H3.
What are the key properties of 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine?
2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 57173856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).