1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine

C16H22FNO2 — CID 138034260

IUPAC1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cccc(OC3CC3)c2F)CC1
InChIInChI=1S/C16H22FNO2/c1-19-13-7-9-18(10-8-13)11-12-3-2-4-15(16(12)17)20-14-5-6-14/h2-4,13-14H,5-11H2,1H3
InChIKeyBZNURSFLAOBCHZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.98
Rot. Bonds5

About 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine

1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine (PubChem CID 138034260) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine
PubChem CID138034260
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cccc(OC3CC3)c2F)CC1
InChIInChI=1S/C16H22FNO2/c1-19-13-7-9-18(10-8-13)11-12-3-2-4-15(16(12)17)20-14-5-6-14/h2-4,13-14H,5-11H2,1H3
InChIKeyBZNURSFLAOBCHZ-UHFFFAOYSA-N
XLogP2.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104792852
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42191016
3-(bromomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 104794921
2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
CID 77097842
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine
CID 171396283
ethyl 2-iodo-3-[(4-methoxypiperidin-1-yl)methyl]benzoate
CID 169449798

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine?
The IUPAC name of 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine (CID 138034260) is 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine is COC1CCN(Cc2cccc(OC3CC3)c2F)CC1.
What is the InChIKey of 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine?
The InChIKey is BZNURSFLAOBCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-19-13-7-9-18(10-8-13)11-12-3-2-4-15(16(12)17)20-14-5-6-14/h2-4,13-14H,5-11H2,1H3.
What are the key properties of 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine?
1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine has a molecular weight of 279.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine is sourced from PubChem (CID 138034260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).