(3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine

C18H26FNO2 — CID 155992863

IUPAC(3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine
SMILESCO[C@H]1CN(C2CCOCC2)CC[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C18H26FNO2/c1-21-18-13-20(17-6-9-22-10-7-17)8-5-15(18)11-14-3-2-4-16(19)12-14/h2-4,12,15,17-18H,5-11,13H2,1H3/t15-,18+/m1/s1
InChIKeyZDPVFHNDWWEHNV-QAPCUYQASA-N
MW307.41 g/mol
LogP2.88
Rot. Bonds4

About (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine

(3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine (PubChem CID 155992863) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine
PubChem CID155992863
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name(3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine
SMILESCO[C@H]1CN(C2CCOCC2)CC[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C18H26FNO2/c1-21-18-13-20(17-6-9-22-10-7-17)8-5-15(18)11-14-3-2-4-16(19)12-14/h2-4,12,15,17-18H,5-11,13H2,1H3/t15-,18+/m1/s1
InChIKeyZDPVFHNDWWEHNV-QAPCUYQASA-N
XLogP2.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol
CID 155992848
(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine
CID 70898972
1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone
CID 155992946
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
(3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol
CID 110159212
(3S,4S)-3-[(3-fluorophenyl)methyl]-N-propan-2-yloxan-4-amine
CID 97175070
(3S,4S)-3-benzyl-4-methoxy-1-(oxan-4-ylmethyl)piperidine
CID 97422723
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
(3aS,6aR)-2-[(3-fluorophenyl)methyl]-5-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155823554
[4-[(3S,4R)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 129118147
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine?
The IUPAC name of (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine (CID 155992863) is (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine.
What is the SMILES notation for (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine?
The canonical SMILES for (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine is CO[C@H]1CN(C2CCOCC2)CC[C@@H]1Cc1cccc(F)c1.
What is the InChIKey of (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine?
The InChIKey is ZDPVFHNDWWEHNV-QAPCUYQASA-N. The full InChI is InChI=1S/C18H26FNO2/c1-21-18-13-20(17-6-9-22-10-7-17)8-5-15(18)11-14-3-2-4-16(19)12-14/h2-4,12,15,17-18H,5-11,13H2,1H3/t15-,18+/m1/s1.
What are the key properties of (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine?
(3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine has a molecular weight of 307.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 155992863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).