N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine

C17H27FN2 — CID 106622603

IUPACN-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCCN(CC1CCCCN1)C(C)Cc1ccccc1F
InChIInChI=1S/C17H27FN2/c1-3-20(13-16-9-6-7-11-19-16)14(2)12-15-8-4-5-10-17(15)18/h4-5,8,10,14,16,19H,3,6-7,9,11-13H2,1-2H3
InChIKeyZAPAYTBDENWKPB-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine

N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106622603) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106622603
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCCN(CC1CCCCN1)C(C)Cc1ccccc1F
InChIInChI=1S/C17H27FN2/c1-3-20(13-16-9-6-7-11-19-16)14(2)12-15-8-4-5-10-17(15)18/h4-5,8,10,14,16,19H,3,6-7,9,11-13H2,1-2H3
InChIKeyZAPAYTBDENWKPB-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106622166
4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622418
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622422
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106622603) is N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine is CCN(CC1CCCCN1)C(C)Cc1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is ZAPAYTBDENWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-20(13-16-9-6-7-11-19-16)14(2)12-15-8-4-5-10-17(15)18/h4-5,8,10,14,16,19H,3,6-7,9,11-13H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 278.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106622603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).