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

C15H23FN2 — CID 78935591

IUPAC(1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCC1CCCN(c2ccc([C@H](C)N)cc2F)C1C
InChIInChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(11(2)17)9-14(15)16/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyDQIXIYZDORQGPN-CXQJBGSLSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds2

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

(1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 78935591) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
PubChem CID78935591
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCC1CCCN(c2ccc([C@H](C)N)cc2F)C1C
InChIInChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(11(2)17)9-14(15)16/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyDQIXIYZDORQGPN-CXQJBGSLSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline
CID 62124073
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
CID 78934575
1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 62124442
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 55190676
1-[4-(1-aminoethyl)-2-fluorophenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196427
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196409
1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196452
2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 63783591
4-(2,3-dimethylpiperidin-1-yl)-3-fluorobenzenecarbothioamide
CID 62123242
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine (CID 78935591) is (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine is CC1CCCN(c2ccc([C@H](C)N)cc2F)C1C.
What is the InChIKey of (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is DQIXIYZDORQGPN-CXQJBGSLSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(11(2)17)9-14(15)16/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m0/s1.
What are the key properties of (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine?
(1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 78935591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).