1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol

C14H21FN2O — CID 110012184

IUPAC1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol
SMILESCC(C)C(NCC1(O)CCC1)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-10(2)13(12-5-4-11(15)8-16-12)17-9-14(18)6-3-7-14/h4-5,8,10,13,17-18H,3,6-7,9H2,1-2H3
InChIKeyOCVMJWJDVAEXDQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.42
Rot. Bonds5

About 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol

1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol (PubChem CID 110012184) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol
PubChem CID110012184
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol
SMILESCC(C)C(NCC1(O)CCC1)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-10(2)13(12-5-4-11(15)8-16-12)17-9-14(18)6-3-7-14/h4-5,8,10,13,17-18H,3,6-7,9H2,1-2H3
InChIKeyOCVMJWJDVAEXDQ-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol (CID 110012184) is 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol is CC(C)C(NCC1(O)CCC1)c1ccc(F)cn1.
What is the InChIKey of 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is OCVMJWJDVAEXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)13(12-5-4-11(15)8-16-12)17-9-14(18)6-3-7-14/h4-5,8,10,13,17-18H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol?
1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 110012184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).