1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

C15H32N2O2 — CID 60909698

IUPAC1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCCCCCCOCC(O)CNC1CCN(C)CC1
InChIInChI=1S/C15H32N2O2/c1-3-4-5-6-11-19-13-15(18)12-16-14-7-9-17(2)10-8-14/h14-16,18H,3-13H2,1-2H3
InChIKeyBHRARSNDDRHUSU-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.63
Rot. Bonds10

About 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 60909698) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
PubChem CID60909698
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCCCCCCOCC(O)CNC1CCN(C)CC1
InChIInChI=1S/C15H32N2O2/c1-3-4-5-6-11-19-13-15(18)12-16-14-7-9-17(2)10-8-14/h14-16,18H,3-13H2,1-2H3
InChIKeyBHRARSNDDRHUSU-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909850
1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062780
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
3-[(2-hydroxy-3-octoxypropyl)amino]-1-methylpyrrolidin-2-one
CID 106256661
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (CID 60909698) is 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is CCCCCCOCC(O)CNC1CCN(C)CC1.
What is the InChIKey of 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is BHRARSNDDRHUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-3-4-5-6-11-19-13-15(18)12-16-14-7-9-17(2)10-8-14/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 272.43 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 60909698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).