1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine

C15H23FN2 — CID 116906803

IUPAC1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
SMILESCN(C)C(CC1CCCCN1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-18(2)15(11-12-7-5-6-10-17-12)13-8-3-4-9-14(13)16/h3-4,8-9,12,15,17H,5-7,10-11H2,1-2H3
InChIKeyVITZKZBVQGZLIJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds4

About 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine

1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine (PubChem CID 116906803) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
PubChem CID116906803
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
SMILESCN(C)C(CC1CCCCN1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-18(2)15(11-12-7-5-6-10-17-12)13-8-3-4-9-14(13)16/h3-4,8-9,12,15,17H,5-7,10-11H2,1-2H3
InChIKeyVITZKZBVQGZLIJ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N,N-dimethyl-2-morpholin-3-ylethanamine
CID 116911058
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 116906674
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514786
3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 43187196
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-6-fluoroaniline
CID 107598571

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine (CID 116906803) is 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine is CN(C)C(CC1CCCCN1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The InChIKey is VITZKZBVQGZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(2)15(11-12-7-5-6-10-17-12)13-8-3-4-9-14(13)16/h3-4,8-9,12,15,17H,5-7,10-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine is sourced from PubChem (CID 116906803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).