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

C12H26N2O2 — CID 60909990

IUPAC1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-10(2)16-9-12(15)8-13-11-4-6-14(3)7-5-11/h10-13,15H,4-9H2,1-3H3
InChIKeyALNLAMYBECNGET-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds6

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

1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 60909990) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID60909990
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-10(2)16-9-12(15)8-13-11-4-6-14(3)7-5-11/h10-13,15H,4-9H2,1-3H3
InChIKeyALNLAMYBECNGET-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
CID 60632844
1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909850
1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 65472026
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103966285
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62396754

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol (CID 60909990) is 1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNC1CCN(C)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ALNLAMYBECNGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)16-9-12(15)8-13-11-4-6-14(3)7-5-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol?
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 6 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-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60909990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).