2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol

C12H22FNO — CID 154782836

IUPAC2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(CC2(F)CC2)CC1
InChIInChI=1S/C12H22FNO/c1-11(2,15)10-3-7-14(8-4-10)9-12(13)5-6-12/h10,15H,3-9H2,1-2H3
InChIKeyLCTGFPKKWNCZJC-UHFFFAOYSA-N
MW215.31 g/mol
LogP1.97
Rot. Bonds3

About 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol

2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol (PubChem CID 154782836) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol
PubChem CID154782836
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(CC2(F)CC2)CC1
InChIInChI=1S/C12H22FNO/c1-11(2,15)10-3-7-14(8-4-10)9-12(13)5-6-12/h10,15H,3-9H2,1-2H3
InChIKeyLCTGFPKKWNCZJC-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol (CID 154782836) is 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(CC2(F)CC2)CC1.
What is the InChIKey of 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is LCTGFPKKWNCZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-11(2,15)10-3-7-14(8-4-10)9-12(13)5-6-12/h10,15H,3-9H2,1-2H3.
What are the key properties of 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol?
2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 215.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 154782836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).