1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H28N2O3 — CID 106992591

IUPAC1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN1CCC(C)C(N)C1
InChIInChI=1S/C13H28N2O3/c1-10-4-5-15(7-13(10)14)6-12(16)9-18-11(2)8-17-3/h10-13,16H,4-9,14H2,1-3H3
InChIKeyRGDXNVNRGVEISU-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.07
Rot. Bonds7

About 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106992591) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106992591
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN1CCC(C)C(N)C1
InChIInChI=1S/C13H28N2O3/c1-10-4-5-15(7-13(10)14)6-12(16)9-18-11(2)8-17-3/h10-13,16H,4-9,14H2,1-3H3
InChIKeyRGDXNVNRGVEISU-UHFFFAOYSA-N
XLogP0.07
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992598
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992549
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
CID 106455019
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
CID 106990694

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106992591) is 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CN1CCC(C)C(N)C1.
What is the InChIKey of 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is RGDXNVNRGVEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-10-4-5-15(7-13(10)14)6-12(16)9-18-11(2)8-17-3/h10-13,16H,4-9,14H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106992591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).