1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine

C13H26FN3 — CID 166113474

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine
SMILESCCN1CCC(CN2CCC(N)C(F)C2)CC1
InChIInChI=1S/C13H26FN3/c1-2-16-6-3-11(4-7-16)9-17-8-5-13(15)12(14)10-17/h11-13H,2-10,15H2,1H3
InChIKeyLUYFIHBQTOFCCZ-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.09
Rot. Bonds3

About 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine

1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine (PubChem CID 166113474) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine
PubChem CID166113474
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine
SMILESCCN1CCC(CN2CCC(N)C(F)C2)CC1
InChIInChI=1S/C13H26FN3/c1-2-16-6-3-11(4-7-16)9-17-8-5-13(15)12(14)10-17/h11-13H,2-10,15H2,1H3
InChIKeyLUYFIHBQTOFCCZ-UHFFFAOYSA-N
XLogP1.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 124748320
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
CID 64952931
5-amino-1-ethylazepan-4-ol
CID 177033460
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432
1-[(1-ethylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-1,4-diazepane
CID 103371982
(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine
CID 99942865
(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine (CID 166113474) is 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine is CCN1CCC(CN2CCC(N)C(F)C2)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine?
The InChIKey is LUYFIHBQTOFCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-2-16-6-3-11(4-7-16)9-17-8-5-13(15)12(14)10-17/h11-13H,2-10,15H2,1H3.
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine?
1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine has a molecular weight of 243.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine is sourced from PubChem (CID 166113474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).