(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol

C8H17FN2O — CID 69070198

IUPAC(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(C[C@@H](F)CO)CC1
InChIInChI=1S/C8H17FN2O/c1-10-2-4-11(5-3-10)6-8(9)7-12/h8,12H,2-7H2,1H3/t8-/m1/s1
InChIKeyZDHRSXNQOQJQAV-MRVPVSSYSA-N
MW176.23 g/mol
LogP-0.44
Rot. Bonds3

About (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol

(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol (PubChem CID 69070198) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
PubChem CID69070198
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(C[C@@H](F)CO)CC1
InChIInChI=1S/C8H17FN2O/c1-10-2-4-11(5-3-10)6-8(9)7-12/h8,12H,2-7H2,1H3/t8-/m1/s1
InChIKeyZDHRSXNQOQJQAV-MRVPVSSYSA-N
XLogP-0.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol?
The IUPAC name of (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol (CID 69070198) is (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol is CN1CCN(C[C@@H](F)CO)CC1.
What is the InChIKey of (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol?
The InChIKey is ZDHRSXNQOQJQAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-10-2-4-11(5-3-10)6-8(9)7-12/h8,12H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol?
(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol has a molecular weight of 176.23 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 69070198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).