2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine

C12H21N3 — CID 116926592

IUPAC2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(Cc2ccc[nH]2)CC1
InChIInChI=1S/C12H21N3/c13-5-9-15-7-3-11(4-8-15)10-12-2-1-6-14-12/h1-2,6,11,14H,3-5,7-10,13H2
InChIKeyFOQIXLZGSXNKPZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.23
Rot. Bonds4

About 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine

2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine (PubChem CID 116926592) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine
PubChem CID116926592
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(Cc2ccc[nH]2)CC1
InChIInChI=1S/C12H21N3/c13-5-9-15-7-3-11(4-8-15)10-12-2-1-6-14-12/h1-2,6,11,14H,3-5,7-10,13H2
InChIKeyFOQIXLZGSXNKPZ-UHFFFAOYSA-N
XLogP1.23
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine (CID 116926592) is 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine is NCCN1CCC(Cc2ccc[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine?
The InChIKey is FOQIXLZGSXNKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-5-9-15-7-3-11(4-8-15)10-12-2-1-6-14-12/h1-2,6,11,14H,3-5,7-10,13H2.
What are the key properties of 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine?
2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 116926592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).