(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone

C20H22FNO2 — CID 90505160

IUPAC(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(COCc2ccccc2)C1
InChIInChI=1S/C20H22FNO2/c21-19-11-5-4-10-18(19)20(23)22-12-6-9-17(13-22)15-24-14-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2
InChIKeyHUXJHAAKGPYKPJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.89
Rot. Bonds5

About (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone

(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone (PubChem CID 90505160) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
PubChem CID90505160
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(COCc2ccccc2)C1
InChIInChI=1S/C20H22FNO2/c21-19-11-5-4-10-18(19)20(23)22-12-6-9-17(13-22)15-24-14-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2
InChIKeyHUXJHAAKGPYKPJ-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505233
2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone
CID 90505258
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
2-[2-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 119186825
1-[3-(phenylmethoxymethyl)piperidin-1-yl]-2-propylpentan-1-one
CID 90505130
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one
CID 26398707
[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 83997186
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone (CID 90505160) is (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCCC(COCc2ccccc2)C1.
What is the InChIKey of (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The InChIKey is HUXJHAAKGPYKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-19-11-5-4-10-18(19)20(23)22-12-6-9-17(13-22)15-24-14-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2.
What are the key properties of (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone has a molecular weight of 327.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90505160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).