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

C9H14FN3 — CID 141482395

IUPAC(3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(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/t7-/m1/s1
InChIKeyQFHJSZWKTGZJNX-SSDOTTSWSA-N
MW183.23 g/mol
LogP1.08
Rot. Bonds1

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

(3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine (PubChem CID 141482395) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine
PubChem CID141482395
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name(3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(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/t7-/m1/s1
InChIKeyQFHJSZWKTGZJNX-SSDOTTSWSA-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 (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine?
The IUPAC name of (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine (CID 141482395) is (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine is N[C@@H]1CCCN(c2cc[nH]c2F)C1.
What is the InChIKey of (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine?
The InChIKey is QFHJSZWKTGZJNX-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine?
(3R)-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 (3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine is sourced from PubChem (CID 141482395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).