1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine

C12H24FN3 — CID 165138110

IUPAC1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine
SMILESCCN1CC[C@@H](CN2CCNCC2)[C@@H](F)C1
InChIInChI=1S/C12H24FN3/c1-2-15-6-3-11(12(13)10-15)9-16-7-4-14-5-8-16/h11-12,14H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyWTGZPUNBXPPRBV-RYUDHWBXSA-N
MW229.34 g/mol
LogP0.57
Rot. Bonds3

About 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine

1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine (PubChem CID 165138110) has the molecular formula C12H24FN3 and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine
PubChem CID165138110
Molecular FormulaC12H24FN3
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC Name1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine
SMILESCCN1CC[C@@H](CN2CCNCC2)[C@@H](F)C1
InChIInChI=1S/C12H24FN3/c1-2-15-6-3-11(12(13)10-15)9-16-7-4-14-5-8-16/h11-12,14H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyWTGZPUNBXPPRBV-RYUDHWBXSA-N
XLogP0.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 50.57
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-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine (CID 165138110) is 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine is CCN1CC[C@@H](CN2CCNCC2)[C@@H](F)C1.
What is the InChIKey of 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine?
The InChIKey is WTGZPUNBXPPRBV-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24FN3/c1-2-15-6-3-11(12(13)10-15)9-16-7-4-14-5-8-16/h11-12,14H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine?
1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine has a molecular weight of 229.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 165138110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).