4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine

C13H26FN3 — CID 115055748

IUPAC4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine
SMILESCN1CCC(N2CCCC(N)(CF)CC2)CC1
InChIInChI=1S/C13H26FN3/c1-16-8-3-12(4-9-16)17-7-2-5-13(15,11-14)6-10-17/h12H,2-11,15H2,1H3
InChIKeyFWBKAFUUTBLFRE-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.23
Rot. Bonds2

About 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine

4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine (PubChem CID 115055748) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine
PubChem CID115055748
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine
SMILESCN1CCC(N2CCCC(N)(CF)CC2)CC1
InChIInChI=1S/C13H26FN3/c1-16-8-3-12(4-9-16)17-7-2-5-13(15,11-14)6-10-17/h12H,2-11,15H2,1H3
InChIKeyFWBKAFUUTBLFRE-UHFFFAOYSA-N
XLogP1.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propan-2-yl-4-(trifluoromethyl)piperidin-4-amine
CID 63898666
4-(Fluoromethyl)-1-propan-2-ylpiperidin-4-amine
CID 115014377
1-Tert-butyl-4-(fluoromethyl)piperidin-4-amine
CID 115017655
4-(4-Fluoro-1,4-dimethylpiperidin-1-ium-1-yl)-2-methylbutan-2-amine
CID 118328090
(4R)-1-tert-butyl-4-(2,2-difluoroethyl)azepan-4-amine
CID 155184112
(4R)-4-(2,2-difluoroethyl)-1-methylazepan-4-amine
CID 155204122
(4R)-4-(2,2-difluoroethyl)-1-propan-2-ylazepan-4-amine
CID 156483012
(4R)-4-(2,2-difluoroethyl)-1-hexan-2-ylazepan-4-amine
CID 156483013
3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine
CID 159043159
1-(2-Fluoroethyl)-2,2-dimethylpiperidin-4-amine
CID 163295998
4-Fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
CID 167126903
5-Fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
CID 167126911

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine?
The IUPAC name of 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine (CID 115055748) is 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine.
What is the SMILES notation for 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine?
The canonical SMILES for 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine is CN1CCC(N2CCCC(N)(CF)CC2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine?
The InChIKey is FWBKAFUUTBLFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-16-8-3-12(4-9-16)17-7-2-5-13(15,11-14)6-10-17/h12H,2-11,15H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine?
4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine has a molecular weight of 243.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine is sourced from PubChem (CID 115055748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).