4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine

C13H25FN2 — CID 166537025

IUPAC4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
SMILESCC[C@@H](F)C1CCN(CC2CN(C)C2)CC1
InChIInChI=1S/C13H25FN2/c1-3-13(14)12-4-6-16(7-5-12)10-11-8-15(2)9-11/h11-13H,3-10H2,1-2H3/t13-/m1/s1
InChIKeySPFMJEZVMKPGRO-CYBMUJFWSA-N
MW228.35 g/mol
LogP2.01
Rot. Bonds4

About 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine

4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine (PubChem CID 166537025) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
PubChem CID166537025
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
SMILESCC[C@@H](F)C1CCN(CC2CN(C)C2)CC1
InChIInChI=1S/C13H25FN2/c1-3-13(14)12-4-6-16(7-5-12)10-11-8-15(2)9-11/h11-13H,3-10H2,1-2H3/t13-/m1/s1
InChIKeySPFMJEZVMKPGRO-CYBMUJFWSA-N
XLogP2.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
1-fluoropropylcyclohexane
CID 175482470
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
1-[[(3R)-1-methylpiperidin-3-yl]methyl]piperidin-4-ol
CID 156719953
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
3-(2,2-difluoroethyl)-1-methylazetidine
CID 170595317

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine?
The IUPAC name of 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine (CID 166537025) is 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine is CC[C@@H](F)C1CCN(CC2CN(C)C2)CC1.
What is the InChIKey of 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine?
The InChIKey is SPFMJEZVMKPGRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25FN2/c1-3-13(14)12-4-6-16(7-5-12)10-11-8-15(2)9-11/h11-13H,3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine?
4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine has a molecular weight of 228.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine is sourced from PubChem (CID 166537025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).