2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine

C15H23FN2 — CID 63783591

IUPAC2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCC1CCCN(c2ccc(CCN)cc2F)C1C
InChIInChI=1S/C15H23FN2/c1-11-4-3-9-18(12(11)2)15-6-5-13(7-8-17)10-14(15)16/h5-6,10-12H,3-4,7-9,17H2,1-2H3
InChIKeyIMKQHDRFGCVNSW-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds3

About 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine

2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 63783591) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
PubChem CID63783591
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCC1CCCN(c2ccc(CCN)cc2F)C1C
InChIInChI=1S/C15H23FN2/c1-11-4-3-9-18(12(11)2)15-6-5-13(7-8-17)10-14(15)16/h5-6,10-12H,3-4,7-9,17H2,1-2H3
InChIKeyIMKQHDRFGCVNSW-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine (CID 63783591) is 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine is CC1CCCN(c2ccc(CCN)cc2F)C1C.
What is the InChIKey of 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is IMKQHDRFGCVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-4-3-9-18(12(11)2)15-6-5-13(7-8-17)10-14(15)16/h5-6,10-12H,3-4,7-9,17H2,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 63783591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).