N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine

C16H25FN2 — CID 115211456

IUPACN-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
SMILESCN(CCc1ccc(F)cc1)CCC1CCCNC1
InChIInChI=1S/C16H25FN2/c1-19(12-9-15-3-2-10-18-13-15)11-8-14-4-6-16(17)7-5-14/h4-7,15,18H,2-3,8-13H2,1H3
InChIKeyHGGBKODRZYMOQJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine

N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine (PubChem CID 115211456) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
PubChem CID115211456
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
SMILESCN(CCc1ccc(F)cc1)CCC1CCCNC1
InChIInChI=1S/C16H25FN2/c1-19(12-9-15-3-2-10-18-13-15)11-8-14-4-6-16(17)7-5-14/h4-7,15,18H,2-3,8-13H2,1H3
InChIKeyHGGBKODRZYMOQJ-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115211459
N-[2-(4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopentanamine;hydrochloride
CID 119932442
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 118759688
3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
CID 45074936
2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
CID 116679477
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 62357207

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine (CID 115211456) is N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine is CN(CCc1ccc(F)cc1)CCC1CCCNC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine?
The InChIKey is HGGBKODRZYMOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-19(12-9-15-3-2-10-18-13-15)11-8-14-4-6-16(17)7-5-14/h4-7,15,18H,2-3,8-13H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine?
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine has a molecular weight of 264.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine is sourced from PubChem (CID 115211456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).