2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol

C10H20F2N2O — CID 106172829

IUPAC2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol
SMILESCN1CCCC(CNCC(F)(F)CO)C1
InChIInChI=1S/C10H20F2N2O/c1-14-4-2-3-9(6-14)5-13-7-10(11,12)8-15/h9,13,15H,2-8H2,1H3
InChIKeyAPCYGCODXXRJAS-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.55
Rot. Bonds5

About 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol (PubChem CID 106172829) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol
PubChem CID106172829
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol
SMILESCN1CCCC(CNCC(F)(F)CO)C1
InChIInChI=1S/C10H20F2N2O/c1-14-4-2-3-9(6-14)5-13-7-10(11,12)8-15/h9,13,15H,2-8H2,1H3
InChIKeyAPCYGCODXXRJAS-UHFFFAOYSA-N
XLogP0.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-[(1-methylpiperidin-4-yl)methylamino]propan-1-ol
CID 106173015
3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
N-[2-methyl-1-[(1-methylpiperidin-3-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63864960
tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate
CID 104857530
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615490
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
(E)-N-[(1-methylpiperidin-3-yl)methyl]but-2-en-1-amine
CID 107898888
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
[1-[[(1-methylpiperidin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 113293535
2-[[(1-methylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64929004

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol (CID 106172829) is 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol is CN1CCCC(CNCC(F)(F)CO)C1.
What is the InChIKey of 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol?
The InChIKey is APCYGCODXXRJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-14-4-2-3-9(6-14)5-13-7-10(11,12)8-15/h9,13,15H,2-8H2,1H3.
What are the key properties of 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106172829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).