3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol

C9H17F2NO — CID 116841111

IUPAC3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol
SMILESCN1CCCC(C(F)(F)CCO)C1
InChIInChI=1S/C9H17F2NO/c1-12-5-2-3-8(7-12)9(10,11)4-6-13/h8,13H,2-7H2,1H3
InChIKeyRNSQZGMJLPNENX-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.35
Rot. Bonds3

About 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol

3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol (PubChem CID 116841111) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol
PubChem CID116841111
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol
SMILESCN1CCCC(C(F)(F)CCO)C1
InChIInChI=1S/C9H17F2NO/c1-12-5-2-3-8(7-12)9(10,11)4-6-13/h8,13H,2-7H2,1H3
InChIKeyRNSQZGMJLPNENX-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol
CID 115134356
2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116866531
2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
CID 121202515
3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine
CID 105443310
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol
CID 106172829
3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine
CID 170290565
3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol
CID 115134039
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
CID 115137861

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol?
The IUPAC name of 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol (CID 116841111) is 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol.
What is the SMILES notation for 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol?
The canonical SMILES for 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol is CN1CCCC(C(F)(F)CCO)C1.
What is the InChIKey of 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol?
The InChIKey is RNSQZGMJLPNENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12-5-2-3-8(7-12)9(10,11)4-6-13/h8,13H,2-7H2,1H3.
What are the key properties of 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol?
3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol is sourced from PubChem (CID 116841111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).