1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine

C13H26FN3 — CID 165137943

IUPAC1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine
SMILESCCCN1CCC(CN2CCNCC2)C(F)C1
InChIInChI=1S/C13H26FN3/c1-2-6-16-7-3-12(13(14)11-16)10-17-8-4-15-5-9-17/h12-13,15H,2-11H2,1H3
InChIKeyGTCIZEVFNPHNIM-UHFFFAOYSA-N
MW243.37 g/mol
LogP0.96
Rot. Bonds4

About 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine

1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine (PubChem CID 165137943) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine
PubChem CID165137943
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine
SMILESCCCN1CCC(CN2CCNCC2)C(F)C1
InChIInChI=1S/C13H26FN3/c1-2-6-16-7-3-12(13(14)11-16)10-17-8-4-15-5-9-17/h12-13,15H,2-11H2,1H3
InChIKeyGTCIZEVFNPHNIM-UHFFFAOYSA-N
XLogP0.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
4-Methyl-1,4'-bipiperidine
CID 795715
1-Methyl-4-(piperidin-3-ylmethyl)piperazine
CID 20668416
1-Methyl-4-(piperidin-4-ylmethyl)piperazine
CID 23391792
1-Methyl-4-[2-(piperidin-4-yl)ethyl]piperazine
CID 4778264
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654
2-(4-Methylpiperidin-1-yl)ethan-1-amine
CID 783700
1-[(1-Methylpiperidin-3-yl)methyl]piperazine
CID 2736940
1-((1-Methyl-4-piperidinyl)methyl)piperazine
CID 2736942
4-Methyl-1-(piperidin-3-ylmethyl)piperidine
CID 16767828
2-(4-Ethylpiperidin-1-yl)ethanamine
CID 20819864
1-Methyl-4-(3-methylpiperidin-4-yl)piperazine
CID 64198968

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine (CID 165137943) is 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine is CCCN1CCC(CN2CCNCC2)C(F)C1.
What is the InChIKey of 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine?
The InChIKey is GTCIZEVFNPHNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-2-6-16-7-3-12(13(14)11-16)10-17-8-4-15-5-9-17/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine?
1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine has a molecular weight of 243.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-1-propylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 165137943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).