1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine

C17H23F2NO2 — CID 97157963

IUPAC1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine
SMILESFc1cc(F)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C17H23F2NO2/c18-14-8-13(9-15(19)10-14)11-20-5-3-16(4-6-20)22-12-17-2-1-7-21-17/h8-10,16-17H,1-7,11-12H2/t17-/m1/s1
InChIKeyFAFGKZSENBDJOI-QGZVFWFLSA-N
MW311.37 g/mol
LogP3.12
Rot. Bonds5

About 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine

1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine (PubChem CID 97157963) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine
PubChem CID97157963
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine
SMILESFc1cc(F)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C17H23F2NO2/c18-14-8-13(9-15(19)10-14)11-20-5-3-16(4-6-20)22-12-17-2-1-7-21-17/h8-10,16-17H,1-7,11-12H2/t17-/m1/s1
InChIKeyFAFGKZSENBDJOI-QGZVFWFLSA-N
XLogP3.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156017
(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156319
3-Ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742391
3-Ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742398
8-[(2-Fluorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743845
3-Ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743998
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
1-(3-Fluorobenzyl)-4-(tetrahydro-3-furanylmethyl)piperazine
CID 56897439
4-(Oxolan-3-yloxy)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 71863110
8-(3,5-Difluorobenzyl)-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74231763
N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine
CID 86799734
4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 97014206

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine (CID 97157963) is 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine is Fc1cc(F)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine?
The InChIKey is FAFGKZSENBDJOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23F2NO2/c18-14-8-13(9-15(19)10-14)11-20-5-3-16(4-6-20)22-12-17-2-1-7-21-17/h8-10,16-17H,1-7,11-12H2/t17-/m1/s1.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine?
1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine has a molecular weight of 311.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]piperidine is sourced from PubChem (CID 97157963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).