1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol

C12H25FN4O — CID 123287981

IUPAC1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(C2C(N)CNCC2F)CC1
InChIInChI=1S/C12H25FN4O/c1-9(18)8-16-2-4-17(5-3-16)12-10(13)6-15-7-11(12)14/h9-12,15,18H,2-8,14H2,1H3
InChIKeyONIRIQSVTMNAEB-UHFFFAOYSA-N
MW260.36 g/mol
LogP-1.38
Rot. Bonds3

About 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol

1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 123287981) has the molecular formula C12H25FN4O and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID123287981
Molecular FormulaC12H25FN4O
Molecular Weight260.36 g/mol
Exact Mass260.20
IUPAC Name1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(C2C(N)CNCC2F)CC1
InChIInChI=1S/C12H25FN4O/c1-9(18)8-16-2-4-17(5-3-16)12-10(13)6-15-7-11(12)14/h9-12,15,18H,2-8,14H2,1H3
InChIKeyONIRIQSVTMNAEB-UHFFFAOYSA-N
XLogP-1.38
TPSA64.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol (CID 123287981) is 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(C2C(N)CNCC2F)CC1.
What is the InChIKey of 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is ONIRIQSVTMNAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN4O/c1-9(18)8-16-2-4-17(5-3-16)12-10(13)6-15-7-11(12)14/h9-12,15,18H,2-8,14H2,1H3.
What are the key properties of 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol?
1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 260.36 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 123287981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).