3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol

C10H20F2N2O — CID 104860685

IUPAC3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC1CC(NCC(F)(F)CO)CCN1C
InChIInChI=1S/C10H20F2N2O/c1-8-5-9(3-4-14(8)2)13-6-10(11,12)7-15/h8-9,13,15H,3-7H2,1-2H3
InChIKeyNGJDYIPHWLRNDO-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.69
Rot. Bonds4

About 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104860685) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104860685
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC1CC(NCC(F)(F)CO)CCN1C
InChIInChI=1S/C10H20F2N2O/c1-8-5-9(3-4-14(8)2)13-6-10(11,12)7-15/h8-9,13,15H,3-7H2,1-2H3
InChIKeyNGJDYIPHWLRNDO-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methyl(piperidin-4-yl)amino)propan-1-ol
CID 12019499
4-amino-1-Piperidinepropanol
CID 18001887
(1S)-1-(2,2-difluoropropylamino)-3-[(3S)-3-methylpiperidin-1-yl]propan-1-ol
CID 144185224
1-(4-Aminopiperidin-1-yl)-2,2,2-trifluoroethanol
CID 154556728
1-[4-[(1-Ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol
CID 155219263
2-[Piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride
CID 155407813
1-(3,3-Difluoropiperidin-4-yl)piperidin-4-ol
CID 162726226
1-(3,3-Difluoropiperidin-4-yl)piperidin-4-ol;hydrochloride
CID 162726350
(3-Fluoro-1-piperidin-4-ylazetidin-3-yl)methanol
CID 171547295
N-methyl-N-(2-piperidin-2-ylethyl)-3-(trifluoromethoxy)propan-1-amine
CID 172334252
3-(4-Amino-3-fluoropiperidin-1-yl)-2,2-difluoropropan-1-ol
CID 172367539
3-[[(3R)-1-tert-butyl-5,5-difluoropiperidin-3-yl]amino]propan-1-ol
CID 176023984

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 104860685) is 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol is CC1CC(NCC(F)(F)CO)CCN1C.
What is the InChIKey of 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is NGJDYIPHWLRNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-8-5-9(3-4-14(8)2)13-6-10(11,12)7-15/h8-9,13,15H,3-7H2,1-2H3.
What are the key properties of 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).