(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine

C15H23FN2 — CID 55188508

IUPAC(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCCC1CCCN(c2ccc([C@@H](C)N)cc2F)C1
InChIInChI=1S/C15H23FN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(11(2)17)9-14(15)16/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3/t11-,12?/m1/s1
InChIKeyWVXCAVXLTJNFBL-JHJMLUEUSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds3

About (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine

(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 55188508) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
PubChem CID55188508
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCCC1CCCN(c2ccc([C@@H](C)N)cc2F)C1
InChIInChI=1S/C15H23FN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(11(2)17)9-14(15)16/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3/t11-,12?/m1/s1
InChIKeyWVXCAVXLTJNFBL-JHJMLUEUSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine (CID 55188508) is (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine is CCC1CCCN(c2ccc([C@@H](C)N)cc2F)C1.
What is the InChIKey of (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is WVXCAVXLTJNFBL-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-12-5-4-8-18(10-12)15-7-6-13(11(2)17)9-14(15)16/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 55188508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).