[5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol

C15H25N3O2 — CID 81204269

IUPAC[5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol
SMILESCC(C)NCc1ccc(N2CC(CO)OCC2C)nc1
InChIInChI=1S/C15H25N3O2/c1-11(2)16-6-13-4-5-15(17-7-13)18-8-14(9-19)20-10-12(18)3/h4-5,7,11-12,14,16,19H,6,8-10H2,1-3H3
InChIKeyRDRHOTIPTVDCBI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.17
Rot. Bonds5

About [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol

[5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol (PubChem CID 81204269) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol
PubChem CID81204269
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol
SMILESCC(C)NCc1ccc(N2CC(CO)OCC2C)nc1
InChIInChI=1S/C15H25N3O2/c1-11(2)16-6-13-4-5-15(17-7-13)18-8-14(9-19)20-10-12(18)3/h4-5,7,11-12,14,16,19H,6,8-10H2,1-3H3
InChIKeyRDRHOTIPTVDCBI-UHFFFAOYSA-N
XLogP1.17
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol (CID 81204269) is [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol is CC(C)NCc1ccc(N2CC(CO)OCC2C)nc1.
What is the InChIKey of [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol?
The InChIKey is RDRHOTIPTVDCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)16-6-13-4-5-15(17-7-13)18-8-14(9-19)20-10-12(18)3/h4-5,7,11-12,14,16,19H,6,8-10H2,1-3H3.
What are the key properties of [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol?
[5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol has a molecular weight of 279.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81204269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).