(1-ethyl-4-fluoropiperidin-4-yl)methanamine

C8H17FN2 — CID 115012602

IUPAC(1-ethyl-4-fluoropiperidin-4-yl)methanamine
SMILESCCN1CCC(F)(CN)CC1
InChIInChI=1S/C8H17FN2/c1-2-11-5-3-8(9,7-10)4-6-11/h2-7,10H2,1H3
InChIKeyYMXXUKOPWRAPKW-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.77
Rot. Bonds2

About (1-ethyl-4-fluoropiperidin-4-yl)methanamine

(1-ethyl-4-fluoropiperidin-4-yl)methanamine (PubChem CID 115012602) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (1-ethyl-4-fluoropiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-fluoropiperidin-4-yl)methanamine
PubChem CID115012602
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(1-ethyl-4-fluoropiperidin-4-yl)methanamine
SMILESCCN1CCC(F)(CN)CC1
InChIInChI=1S/C8H17FN2/c1-2-11-5-3-8(9,7-10)4-6-11/h2-7,10H2,1H3
InChIKeyYMXXUKOPWRAPKW-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-4-methylamine
CID 81574
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
Dimethyl(2-(piperidin-4-yl)ethyl)amine
CID 1415681
4-(2-Diethylaminoethyl)piperidine
CID 296294
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
(1,4-Dimethylpiperidin-4-yl)methanamine
CID 20759990
2-(1-Ethylpiperidin-4-yl)ethan-1-amine
CID 21643902
[1-(3-Methylbutyl)piperidin-4-yl]methanamine
CID 24274890
1-(1-Methylpiperidin-4-yl)ethan-1-amine
CID 21057734
(1-Isopropylpiperidin-4-yl)methanamine
CID 7258859
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654
2-(4-Methylpiperidin-1-yl)ethan-1-amine
CID 783700

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-fluoropiperidin-4-yl)methanamine?
The IUPAC name of (1-ethyl-4-fluoropiperidin-4-yl)methanamine (CID 115012602) is (1-ethyl-4-fluoropiperidin-4-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-fluoropiperidin-4-yl)methanamine?
The canonical SMILES for (1-ethyl-4-fluoropiperidin-4-yl)methanamine is CCN1CCC(F)(CN)CC1.
What is the InChIKey of (1-ethyl-4-fluoropiperidin-4-yl)methanamine?
The InChIKey is YMXXUKOPWRAPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-2-11-5-3-8(9,7-10)4-6-11/h2-7,10H2,1H3.
What are the key properties of (1-ethyl-4-fluoropiperidin-4-yl)methanamine?
(1-ethyl-4-fluoropiperidin-4-yl)methanamine has a molecular weight of 160.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-fluoropiperidin-4-yl)methanamine is sourced from PubChem (CID 115012602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).