5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine

C17H27FN2 — CID 83994488

IUPAC5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
SMILESCCC1CC(NCC(C)C)CN(c2ccccc2F)C1
InChIInChI=1S/C17H27FN2/c1-4-14-9-15(19-10-13(2)3)12-20(11-14)17-8-6-5-7-16(17)18/h5-8,13-15,19H,4,9-12H2,1-3H3
InChIKeyAXNPBPZRXCJFIO-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.68
Rot. Bonds5

About 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine

5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine (PubChem CID 83994488) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
PubChem CID83994488
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
SMILESCCC1CC(NCC(C)C)CN(c2ccccc2F)C1
InChIInChI=1S/C17H27FN2/c1-4-14-9-15(19-10-13(2)3)12-20(11-14)17-8-6-5-7-16(17)18/h5-8,13-15,19H,4,9-12H2,1-3H3
InChIKeyAXNPBPZRXCJFIO-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83993088
2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethanol
CID 83994767
3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 84779141
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
CID 79687629
2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
CID 111466397
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993793
1-cyclohexyl-5-ethyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994555
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
N-(cyclobutylmethyl)-1-(2,3-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997260

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine?
The IUPAC name of 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine (CID 83994488) is 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine.
What is the SMILES notation for 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine?
The canonical SMILES for 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine is CCC1CC(NCC(C)C)CN(c2ccccc2F)C1.
What is the InChIKey of 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine?
The InChIKey is AXNPBPZRXCJFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-14-9-15(19-10-13(2)3)12-20(11-14)17-8-6-5-7-16(17)18/h5-8,13-15,19H,4,9-12H2,1-3H3.
What are the key properties of 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine?
5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine has a molecular weight of 278.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine is sourced from PubChem (CID 83994488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).