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

C17H23F2NO3 — CID 158171190

IUPAC1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine
SMILESCC1(C)OC[C@@H](COc2cc(N3CCCCC3)c(F)cc2F)O1
InChIInChI=1S/C17H23F2NO3/c1-17(2)22-11-12(23-17)10-21-16-9-15(13(18)8-14(16)19)20-6-4-3-5-7-20/h8-9,12H,3-7,10-11H2,1-2H3/t12-/m1/s1
InChIKeyATWVPCDRGWKVTN-GFCCVEGCSA-N
MW327.37 g/mol
LogP3.49
Rot. Bonds4

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

1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine (PubChem CID 158171190) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine.

Molecular Properties

Compound Name1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine
PubChem CID158171190
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine
SMILESCC1(C)OC[C@@H](COc2cc(N3CCCCC3)c(F)cc2F)O1
InChIInChI=1S/C17H23F2NO3/c1-17(2)22-11-12(23-17)10-21-16-9-15(13(18)8-14(16)19)20-6-4-3-5-7-20/h8-9,12H,3-7,10-11H2,1-2H3/t12-/m1/s1
InChIKeyATWVPCDRGWKVTN-GFCCVEGCSA-N
XLogP3.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine?
The IUPAC name of 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine (CID 158171190) is 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine.
What is the SMILES notation for 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine?
The canonical SMILES for 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine is CC1(C)OC[C@@H](COc2cc(N3CCCCC3)c(F)cc2F)O1.
What is the InChIKey of 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine?
The InChIKey is ATWVPCDRGWKVTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-17(2)22-11-12(23-17)10-21-16-9-15(13(18)8-14(16)19)20-6-4-3-5-7-20/h8-9,12H,3-7,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine?
1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine has a molecular weight of 327.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,4-difluorophenyl]piperidine is sourced from PubChem (CID 158171190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).