1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol

C10H21FN2O — CID 58080158

IUPAC1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
SMILESCC(C)N1CCN(CC(O)CF)CC1
InChIInChI=1S/C10H21FN2O/c1-9(2)13-5-3-12(4-6-13)8-10(14)7-11/h9-10,14H,3-8H2,1-2H3
InChIKeyCISBZCHOMPZDQQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.34
Rot. Bonds4

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

1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 58080158) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID58080158
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
SMILESCC(C)N1CCN(CC(O)CF)CC1
InChIInChI=1S/C10H21FN2O/c1-9(2)13-5-3-12(4-6-13)8-10(14)7-11/h9-10,14H,3-8H2,1-2H3
InChIKeyCISBZCHOMPZDQQ-UHFFFAOYSA-N
XLogP0.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol (CID 58080158) is 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol is CC(C)N1CCN(CC(O)CF)CC1.
What is the InChIKey of 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is CISBZCHOMPZDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-9(2)13-5-3-12(4-6-13)8-10(14)7-11/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 204.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 58080158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).