(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

C14H26FNO2 — CID 170926336

IUPAC(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCO[C@H]1CN(CC2(COC(C)C)CC2)CC[C@H]1F
InChIInChI=1S/C14H26FNO2/c1-11(2)18-10-14(5-6-14)9-16-7-4-12(15)13(8-16)17-3/h11-13H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeySLHAIQZNRZWBIW-OLZOCXBDSA-N
MW259.36 g/mol
LogP2.25
Rot. Bonds6

About (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 170926336) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
PubChem CID170926336
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCO[C@H]1CN(CC2(COC(C)C)CC2)CC[C@H]1F
InChIInChI=1S/C14H26FNO2/c1-11(2)18-10-14(5-6-14)9-16-7-4-12(15)13(8-16)17-3/h11-13H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeySLHAIQZNRZWBIW-OLZOCXBDSA-N
XLogP2.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170926296
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol
CID 170926422
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol
CID 176926700
2-(methoxymethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 176926874
4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170424249
1-[1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidin-3-yl]ethanone
CID 178037963
(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926110

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (CID 170926336) is (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is CO[C@H]1CN(CC2(COC(C)C)CC2)CC[C@H]1F.
What is the InChIKey of (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is SLHAIQZNRZWBIW-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-11(2)18-10-14(5-6-14)9-16-7-4-12(15)13(8-16)17-3/h11-13H,4-10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 259.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 170926336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).