1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine

C9H14FN3 — CID 175068006

IUPAC1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine
SMILESNC1CCCN(c2cc[nH]c2F)C1
InChIInChI=1S/C9H14FN3/c10-9-8(3-4-12-9)13-5-1-2-7(11)6-13/h3-4,7,12H,1-2,5-6,11H2
InChIKeyQFHJSZWKTGZJNX-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.08
Rot. Bonds1

About 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine

1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine (PubChem CID 175068006) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine
PubChem CID175068006
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine
SMILESNC1CCCN(c2cc[nH]c2F)C1
InChIInChI=1S/C9H14FN3/c10-9-8(3-4-12-9)13-5-1-2-7(11)6-13/h3-4,7,12H,1-2,5-6,11H2
InChIKeyQFHJSZWKTGZJNX-UHFFFAOYSA-N
XLogP1.08
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine?
The IUPAC name of 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine (CID 175068006) is 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine.
What is the SMILES notation for 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine?
The canonical SMILES for 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine is NC1CCCN(c2cc[nH]c2F)C1.
What is the InChIKey of 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine?
The InChIKey is QFHJSZWKTGZJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c10-9-8(3-4-12-9)13-5-1-2-7(11)6-13/h3-4,7,12H,1-2,5-6,11H2.
What are the key properties of 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine?
1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine has a molecular weight of 183.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine is sourced from PubChem (CID 175068006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).