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

C14H30N2O3 — CID 107163780

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNCC1(C)CCN(C)CC1
InChIInChI=1S/C14H30N2O3/c1-14(4-6-16(2)7-5-14)12-15-10-13(17)11-19-9-8-18-3/h13,15,17H,4-12H2,1-3H3
InChIKeyBASUKLNBQDIGOV-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.33
Rot. Bonds9

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

1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 107163780) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID107163780
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNCC1(C)CCN(C)CC1
InChIInChI=1S/C14H30N2O3/c1-14(4-6-16(2)7-5-14)12-15-10-13(17)11-19-9-8-18-3/h13,15,17H,4-12H2,1-3H3
InChIKeyBASUKLNBQDIGOV-UHFFFAOYSA-N
XLogP0.33
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.33
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-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybutan-1-amine
CID 107163643
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(2-methoxyethoxy)-3-(2-morpholin-4-ylethylamino)propan-2-ol
CID 106989208
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
CID 107163797
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
CID 106990485
N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
CID 106990312
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol (CID 107163780) is 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNCC1(C)CCN(C)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is BASUKLNBQDIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-14(4-6-16(2)7-5-14)12-15-10-13(17)11-19-9-8-18-3/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol?
1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 107163780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).