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

C17H36N2O2 — CID 60909696

IUPAC1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNC1CCN(C)CC1
InChIInChI=1S/C17H36N2O2/c1-3-4-5-6-7-8-13-21-15-17(20)14-18-16-9-11-19(2)12-10-16/h16-18,20H,3-15H2,1-2H3
InChIKeyPBJXHLQUWUCVAN-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.41
Rot. Bonds12

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

1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol (PubChem CID 60909696) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
PubChem CID60909696
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNC1CCN(C)CC1
InChIInChI=1S/C17H36N2O2/c1-3-4-5-6-7-8-13-21-15-17(20)14-18-16-9-11-19(2)12-10-16/h16-18,20H,3-15H2,1-2H3
InChIKeyPBJXHLQUWUCVAN-UHFFFAOYSA-N
XLogP2.41
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.41
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-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
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-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol (CID 60909696) is 1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol is CCCCCCCCOCC(O)CNC1CCN(C)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol?
The InChIKey is PBJXHLQUWUCVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-3-4-5-6-7-8-13-21-15-17(20)14-18-16-9-11-19(2)12-10-16/h16-18,20H,3-15H2,1-2H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol?
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol has a molecular weight of 300.49 g/mol, XLogP of 2.41, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol is sourced from PubChem (CID 60909696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).