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

C12H26N2O3 — CID 106992702

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(N)CC1C
InChIInChI=1S/C12H26N2O3/c1-10-7-11(13)3-4-14(10)8-12(15)9-17-6-5-16-2/h10-12,15H,3-9,13H2,1-2H3
InChIKeyWHDCEMTYVATDET-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.18
Rot. Bonds7

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

1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992702) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992702
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(N)CC1C
InChIInChI=1S/C12H26N2O3/c1-10-7-11(13)3-4-14(10)8-12(15)9-17-6-5-16-2/h10-12,15H,3-9,13H2,1-2H3
InChIKeyWHDCEMTYVATDET-UHFFFAOYSA-N
XLogP-0.18
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991982
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691
1-(4-amino-2-methylpiperidin-1-yl)-3-cyclopentylpropan-2-ol
CID 103160911
1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 106992286
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992685
1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine
CID 103181634
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992226
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
CID 103442151

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (CID 106992702) is 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCC(N)CC1C.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is WHDCEMTYVATDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-10-7-11(13)3-4-14(10)8-12(15)9-17-6-5-16-2/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).