1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol

C11H22F2N2O — CID 103788055

IUPAC1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
SMILESCC(C)N1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C11H22F2N2O/c1-8(2)15-5-3-9(4-6-15)14-7-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3
InChIKeyWUYASHPPCXFPIA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.07
Rot. Bonds5

About 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol

1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 103788055) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
PubChem CID103788055
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
SMILESCC(C)N1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C11H22F2N2O/c1-8(2)15-5-3-9(4-6-15)14-7-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3
InChIKeyWUYASHPPCXFPIA-UHFFFAOYSA-N
XLogP1.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 93033302
3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol
CID 115689315
1,1-difluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 103731557
4,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]pentan-2-ol
CID 103784472
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65107935
2-(cyclopropylamino)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237105
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 115574695
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol (CID 103788055) is 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol is CC(C)N1CCC(NCC(O)C(F)F)CC1.
What is the InChIKey of 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is WUYASHPPCXFPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-8(2)15-5-3-9(4-6-15)14-7-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol?
1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103788055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).