3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol

C16H25FN2O — CID 110012304

IUPAC3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol
SMILESCC(C)C(NCC1CCCC(O)C1)c1ccc(F)cn1
InChIInChI=1S/C16H25FN2O/c1-11(2)16(15-7-6-13(17)10-18-15)19-9-12-4-3-5-14(20)8-12/h6-7,10-12,14,16,19-20H,3-5,8-9H2,1-2H3
InChIKeyCOTVVMSKFRVKTE-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.06
Rot. Bonds5

About 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol

3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol (PubChem CID 110012304) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol
PubChem CID110012304
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol
SMILESCC(C)C(NCC1CCCC(O)C1)c1ccc(F)cn1
InChIInChI=1S/C16H25FN2O/c1-11(2)16(15-7-6-13(17)10-18-15)19-9-12-4-3-5-14(20)8-12/h6-7,10-12,14,16,19-20H,3-5,8-9H2,1-2H3
InChIKeyCOTVVMSKFRVKTE-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol (CID 110012304) is 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol is CC(C)C(NCC1CCCC(O)C1)c1ccc(F)cn1.
What is the InChIKey of 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is COTVVMSKFRVKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(2)16(15-7-6-13(17)10-18-15)19-9-12-4-3-5-14(20)8-12/h6-7,10-12,14,16,19-20H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol?
3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110012304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).