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

C11H21F2NO — CID 174183157

IUPAC2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
SMILESCC(C)C1CCN(CC(F)(F)CO)CC1
InChIInChI=1S/C11H21F2NO/c1-9(2)10-3-5-14(6-4-10)7-11(12,13)8-15/h9-10,15H,3-8H2,1-2H3
InChIKeyQLRAQFQKSAPNBL-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.98
Rot. Bonds4

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

2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol (PubChem CID 174183157) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
PubChem CID174183157
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
SMILESCC(C)C1CCN(CC(F)(F)CO)CC1
InChIInChI=1S/C11H21F2NO/c1-9(2)10-3-5-14(6-4-10)7-11(12,13)8-15/h9-10,15H,3-8H2,1-2H3
InChIKeyQLRAQFQKSAPNBL-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
CID 137409417
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103504047
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 103935797
2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
CID 106837734
1-(2,2-difluorobutyl)-4-ethylpiperidine
CID 123670670
1-[4-(2,2-difluoro-3-hydroxypropyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 126834572
3,3,3-trifluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propanethioamide
CID 103495762
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine
CID 79814334
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol (CID 174183157) is 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol is CC(C)C1CCN(CC(F)(F)CO)CC1.
What is the InChIKey of 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The InChIKey is QLRAQFQKSAPNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-9(2)10-3-5-14(6-4-10)7-11(12,13)8-15/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol has a molecular weight of 221.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 174183157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).