(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine

C13H18FNO2 — CID 66247179

IUPAC(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
SMILESCOc1ccc(CO[C@H]2CCCNC2)cc1F
InChIInChI=1S/C13H18FNO2/c1-16-13-5-4-10(7-12(13)14)9-17-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyDWFWGGBKRADPOV-NSHDSACASA-N
MW239.29 g/mol
LogP2.10
Rot. Bonds4

About (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine

(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine (PubChem CID 66247179) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine.

Molecular Properties

Compound Name(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
PubChem CID66247179
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
SMILESCOc1ccc(CO[C@H]2CCCNC2)cc1F
InChIInChI=1S/C13H18FNO2/c1-16-13-5-4-10(7-12(13)14)9-17-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyDWFWGGBKRADPOV-NSHDSACASA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]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

(3S)-3-[(3-bromo-4-methoxyphenyl)methoxy]piperidine
CID 66245010
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
2-fluoro-5-[[(3S)-piperidin-3-yl]oxymethyl]benzonitrile
CID 114012459
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805
2-(3-fluoro-4-piperidin-3-yloxyphenyl)ethanol
CID 170887452
(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68922885
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine?
The IUPAC name of (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine (CID 66247179) is (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine.
What is the SMILES notation for (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine?
The canonical SMILES for (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine is COc1ccc(CO[C@H]2CCCNC2)cc1F.
What is the InChIKey of (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine?
The InChIKey is DWFWGGBKRADPOV-NSHDSACASA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-13-5-4-10(7-12(13)14)9-17-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine?
(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine has a molecular weight of 239.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine is sourced from PubChem (CID 66247179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).