(4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone

C20H22FNO2 — CID 49677779

IUPAC(2-fluorophenyl)-[4-(phenylmethoxymethyl)piperidin-1-yl]methanone
SMILESC1CN(CCC1COCC2=CC=CC=C2)C(=O)C3=CC=CC=C3F
InChIInChI=1S/C20H22FNO2/c21-19-9-5-4-8-18(19)20(23)22-12-10-17(11-13-22)15-24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyIUXUIOSAAKMTBU-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.60
Rot. Bonds5

About (4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone

(4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone (PubChem CID 49677779) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(phenylmethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone
PubChem CID49677779
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(2-fluorophenyl)-[4-(phenylmethoxymethyl)piperidin-1-yl]methanone
SMILESC1CN(CCC1COCC2=CC=CC=C2)C(=O)C3=CC=CC=C3F
InChIInChI=1S/C20H22FNO2/c21-19-9-5-4-8-18(19)20(23)22-12-10-17(11-13-22)15-24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyIUXUIOSAAKMTBU-UHFFFAOYSA-N
XLogP3.60
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity389

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(Benzyloxy)piperidino]butyl-4-fluorobenzoate
CID 10221700
4-[4-(Benzyloxy)piperidino]butyl-3-fluorobenzoate
CID 10178151
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
4-[4-(2-Oxazolin-2-yl)benzylidene]-1-(4-trifluoromethylbenzoyl)piperidine
CID 15231386
1-Benzyl-piperidin-4-yl benzoate
CID 15124790
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
2-[Benzyl(methyl)amino]-1-methylethyl 3-fluorobenzoate hydrochloride
CID 15945289
1-benzyl-4-[(4-fluorophenyl)methoxymethyl]piperidine;(Z)-but-2-enedioic acid
CID 44357819
[4-[(2,2-Diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 44529913
Methyl 4-[(1-benzylpiperidin-4-yl)methoxymethyl]benzoate;hydrate;hydrochloride
CID 45262166
Methyl 4-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]benzoate;hydrochloride
CID 45265138

Frequently Asked Questions

What is the IUPAC name of (4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone?
The IUPAC name of (4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone (CID 49677779) is (2-fluorophenyl)-[4-(phenylmethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone?
The canonical SMILES for (4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone is C1CN(CCC1COCC2=CC=CC=C2)C(=O)C3=CC=CC=C3F.
What is the InChIKey of (4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone?
The InChIKey is IUXUIOSAAKMTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-19-9-5-4-8-18(19)20(23)22-12-10-17(11-13-22)15-24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of (4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone?
(4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone has a molecular weight of 327.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone is sourced from PubChem (CID 49677779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).