1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol

C13H27NO3 — CID 106991982

IUPAC1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(C)CC1C
InChIInChI=1S/C13H27NO3/c1-11-4-5-14(12(2)8-11)9-13(15)10-17-7-6-16-3/h11-13,15H,4-10H2,1-3H3
InChIKeyGUPYJDMCVAVJNU-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.13
Rot. Bonds7

About 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol

1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106991982) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106991982
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(C)CC1C
InChIInChI=1S/C13H27NO3/c1-11-4-5-14(12(2)8-11)9-13(15)10-17-7-6-16-3/h11-13,15H,4-10H2,1-3H3
InChIKeyGUPYJDMCVAVJNU-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992702
1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
CID 167840500
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
CID 103442151
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 106992286
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-(2,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 62331770
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993034
1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992250

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (CID 106991982) is 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is GUPYJDMCVAVJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11-4-5-14(12(2)8-11)9-13(15)10-17-7-6-16-3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 245.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106991982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).