(1,4-ditert-butylpiperazin-2-yl)-fluoromethanol

C13H27FN2O — CID 168764694

IUPAC(1,4-ditert-butylpiperazin-2-yl)-fluoromethanol
SMILESCC(C)(C)N1CCN(C(C)(C)C)C(C(O)F)C1
InChIInChI=1S/C13H27FN2O/c1-12(2,3)15-7-8-16(13(4,5)6)10(9-15)11(14)17/h10-11,17H,7-9H2,1-6H3
InChIKeyJWKIYUXXJIDCDO-UHFFFAOYSA-N
MW246.37 g/mol
LogP1.86
Rot. Bonds1

About (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol

(1,4-ditert-butylpiperazin-2-yl)-fluoromethanol (PubChem CID 168764694) has the molecular formula C13H27FN2O and a molecular weight of 246.37 g/mol. Its IUPAC name is (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol.

Molecular Properties

Compound Name(1,4-ditert-butylpiperazin-2-yl)-fluoromethanol
PubChem CID168764694
Molecular FormulaC13H27FN2O
Molecular Weight246.37 g/mol
Exact Mass246.21
IUPAC Name(1,4-ditert-butylpiperazin-2-yl)-fluoromethanol
SMILESCC(C)(C)N1CCN(C(C)(C)C)C(C(O)F)C1
InChIInChI=1S/C13H27FN2O/c1-12(2,3)15-7-8-16(13(4,5)6)10(9-15)11(14)17/h10-11,17H,7-9H2,1-6H3
InChIKeyJWKIYUXXJIDCDO-UHFFFAOYSA-N
XLogP1.86
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(Hydroxymethyl)propyl]piperazin-1-yl]butan-1-ol
CID 469987
2-[4-(2-Hydroxyethyl)-2,2,5,5-tetramethylpiperazin-1-yl]ethanol
CID 225582
(1,4-Dimethylpiperazin-2-yl)methanol
CID 2779170
2-(2,4-Dimethylpiperazin-1-yl)ethan-1-ol
CID 66568112
2-Fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 17980523
(2S)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 57350202
1-Fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 58080158
(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 69070198
1-Fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 165160446
[1,4-Di(propan-2-yl)piperazin-2-yl]-fluoromethanol
CID 169848837
(1,2,4-Trimethylpiperazin-2-yl)methyl hypofluorite
CID 177009752
(2-Fluoro-1,4-dimethylpiperazin-2-yl)methanol
CID 177260503

Frequently Asked Questions

What is the IUPAC name of (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol?
The IUPAC name of (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol (CID 168764694) is (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol.
What is the SMILES notation for (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol?
The canonical SMILES for (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol is CC(C)(C)N1CCN(C(C)(C)C)C(C(O)F)C1.
What is the InChIKey of (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol?
The InChIKey is JWKIYUXXJIDCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O/c1-12(2,3)15-7-8-16(13(4,5)6)10(9-15)11(14)17/h10-11,17H,7-9H2,1-6H3.
What are the key properties of (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol?
(1,4-ditert-butylpiperazin-2-yl)-fluoromethanol has a molecular weight of 246.37 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-ditert-butylpiperazin-2-yl)-fluoromethanol is sourced from PubChem (CID 168764694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).