4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine

C20H30F2N2O — CID 99931082

IUPAC4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine
SMILESC[C@H]1CCCN(CCOc2ccccc2CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C20H30F2N2O/c1-17-5-4-10-23(15-17)13-14-25-19-7-3-2-6-18(19)16-24-11-8-20(21,22)9-12-24/h2-3,6-7,17H,4-5,8-16H2,1H3/t17-/m0/s1
InChIKeyHBWAEGUGDZNIJV-KRWDZBQOSA-N
MW352.47 g/mol
LogP4.03
Rot. Bonds6

About 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine

4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine (PubChem CID 99931082) has the molecular formula C20H30F2N2O and a molecular weight of 352.47 g/mol. Its IUPAC name is 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine
PubChem CID99931082
Molecular FormulaC20H30F2N2O
Molecular Weight352.47 g/mol
Exact Mass352.23
IUPAC Name4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine
SMILESC[C@H]1CCCN(CCOc2ccccc2CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C20H30F2N2O/c1-17-5-4-10-23(15-17)13-14-25-19-7-3-2-6-18(19)16-24-11-8-20(21,22)9-12-24/h2-3,6-7,17H,4-5,8-16H2,1H3/t17-/m0/s1
InChIKeyHBWAEGUGDZNIJV-KRWDZBQOSA-N
XLogP4.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
1-[[2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]methyl]azetidin-3-ol
CID 99933820
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
CID 2934743
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 99930492
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 154911817
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
(3R,4R)-4-cyclopropyl-3-methyl-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-4-ol
CID 72877253
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine (CID 99931082) is 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine is C[C@H]1CCCN(CCOc2ccccc2CN2CCC(F)(F)CC2)C1.
What is the InChIKey of 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine?
The InChIKey is HBWAEGUGDZNIJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30F2N2O/c1-17-5-4-10-23(15-17)13-14-25-19-7-3-2-6-18(19)16-24-11-8-20(21,22)9-12-24/h2-3,6-7,17H,4-5,8-16H2,1H3/t17-/m0/s1.
What are the key properties of 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine?
4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine has a molecular weight of 352.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine is sourced from PubChem (CID 99931082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).