(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine

C16H25FN2 — CID 81347133

IUPAC(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
SMILESC[C@@H](NCCC1CCCCN1C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-13(14-6-8-15(17)9-7-14)18-11-10-16-5-3-4-12-19(16)2/h6-9,13,16,18H,3-5,10-12H2,1-2H3/t13-,16?/m1/s1
InChIKeyZDVJOJYLPDMETQ-JBZHPUCOSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine

(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine (PubChem CID 81347133) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
PubChem CID81347133
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
SMILESC[C@@H](NCCC1CCCCN1C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-13(14-6-8-15(17)9-7-14)18-11-10-16-5-3-4-12-19(16)2/h6-9,13,16,18H,3-5,10-12H2,1-2H3/t13-,16?/m1/s1
InChIKeyZDVJOJYLPDMETQ-JBZHPUCOSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81373836
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81349160
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62415302
N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166772617
6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 84599068
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
CID 106353823
2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine
CID 114015298
3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62416863
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine (CID 81347133) is (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine is C[C@@H](NCCC1CCCCN1C)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine?
The InChIKey is ZDVJOJYLPDMETQ-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(14-6-8-15(17)9-7-14)18-11-10-16-5-3-4-12-19(16)2/h6-9,13,16,18H,3-5,10-12H2,1-2H3/t13-,16?/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine?
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81347133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).