1-(2-fluoroethyl)-3-methylpiperidin-4-amine

C8H17FN2 — CID 80695776

IUPAC1-(2-fluoroethyl)-3-methylpiperidin-4-amine
SMILESCC1CN(CCF)CCC1N
InChIInChI=1S/C8H17FN2/c1-7-6-11(5-3-9)4-2-8(7)10/h7-8H,2-6,10H2,1H3
InChIKeySKSBUVRHBXGODO-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.62
Rot. Bonds2

About 1-(2-fluoroethyl)-3-methylpiperidin-4-amine

1-(2-fluoroethyl)-3-methylpiperidin-4-amine (PubChem CID 80695776) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methylpiperidin-4-amine
PubChem CID80695776
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(2-fluoroethyl)-3-methylpiperidin-4-amine
SMILESCC1CN(CCF)CCC1N
InChIInChI=1S/C8H17FN2/c1-7-6-11(5-3-9)4-2-8(7)10/h7-8H,2-6,10H2,1H3
InChIKeySKSBUVRHBXGODO-UHFFFAOYSA-N
XLogP0.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol
CID 131112804
1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 55093529
1-(5-methoxypentyl)-3-methylpiperidin-4-amine
CID 103815527
3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine
CID 102906329
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
3-(4-amino-3-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79868702
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-(2-fluoroethyl)-4-methylpiperidine;propane
CID 177031790
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124
1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176946053

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2-fluoroethyl)-3-methylpiperidin-4-amine (CID 80695776) is 1-(2-fluoroethyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-fluoroethyl)-3-methylpiperidin-4-amine is CC1CN(CCF)CCC1N.
What is the InChIKey of 1-(2-fluoroethyl)-3-methylpiperidin-4-amine?
The InChIKey is SKSBUVRHBXGODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-7-6-11(5-3-9)4-2-8(7)10/h7-8H,2-6,10H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-methylpiperidin-4-amine?
1-(2-fluoroethyl)-3-methylpiperidin-4-amine has a molecular weight of 160.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 80695776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).