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

C18H29FN2 — CID 106622166

IUPAC1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCCCN1)C(C)Cc1ccccc1F
InChIInChI=1S/C18H29FN2/c1-14(2)21(13-17-9-6-7-11-20-17)15(3)12-16-8-4-5-10-18(16)19/h4-5,8,10,14-15,17,20H,6-7,9,11-13H2,1-3H3
InChIKeyZGQJOPUQIJCCOX-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.61
Rot. Bonds6

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

1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 106622166) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
PubChem CID106622166
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCCCN1)C(C)Cc1ccccc1F
InChIInChI=1S/C18H29FN2/c1-14(2)21(13-17-9-6-7-11-20-17)15(3)12-16-8-4-5-10-18(16)19/h4-5,8,10,14-15,17,20H,6-7,9,11-13H2,1-3H3
InChIKeyZGQJOPUQIJCCOX-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
CID 107720853
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622086
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622859

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine (CID 106622166) is 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CC1CCCCN1)C(C)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is ZGQJOPUQIJCCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14(2)21(13-17-9-6-7-11-20-17)15(3)12-16-8-4-5-10-18(16)19/h4-5,8,10,14-15,17,20H,6-7,9,11-13H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 106622166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).