(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine

C20H22FNO2 — CID 25174350

IUPAC(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine
SMILESFc1ccccc1[C@@H]1CCCN(C[C@H]2COc3ccccc3O2)C1
InChIInChI=1S/C20H22FNO2/c21-18-8-2-1-7-17(18)15-6-5-11-22(12-15)13-16-14-23-19-9-3-4-10-20(19)24-16/h1-4,7-10,15-16H,5-6,11-14H2/t15-,16+/m1/s1
InChIKeyIXOXLRFROGTIPP-CVEARBPZSA-N
MW327.40 g/mol
LogP3.85
Rot. Bonds3

About (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine

(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine (PubChem CID 25174350) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine.

Molecular Properties

Compound Name(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine
PubChem CID25174350
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine
SMILESFc1ccccc1[C@@H]1CCCN(C[C@H]2COc3ccccc3O2)C1
InChIInChI=1S/C20H22FNO2/c21-18-8-2-1-7-17(18)15-6-5-11-22(12-15)13-16-14-23-19-9-3-4-10-20(19)24-16/h1-4,7-10,15-16H,5-6,11-14H2/t15-,16+/m1/s1
InChIKeyIXOXLRFROGTIPP-CVEARBPZSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine
CID 25174673
(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,N-dimethylpiperidin-3-amine
CID 159117101
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
(3R)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]piperidine
CID 25174512
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621557
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554
(3aS,7aR)-2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 138621604
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one
CID 138621618
1-(cyclopropylmethyl)-3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 138621401

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine?
The IUPAC name of (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine (CID 25174350) is (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine.
What is the SMILES notation for (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine?
The canonical SMILES for (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine is Fc1ccccc1[C@@H]1CCCN(C[C@H]2COc3ccccc3O2)C1.
What is the InChIKey of (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine?
The InChIKey is IXOXLRFROGTIPP-CVEARBPZSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-18-8-2-1-7-17(18)15-6-5-11-22(12-15)13-16-14-23-19-9-3-4-10-20(19)24-16/h1-4,7-10,15-16H,5-6,11-14H2/t15-,16+/m1/s1.
What are the key properties of (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine?
(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine has a molecular weight of 327.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine is sourced from PubChem (CID 25174350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).