3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol

C13H29N3O — CID 64828162

IUPAC3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol
SMILESCCN1CCC(N(C)CC(C)(CO)NC)CC1
InChIInChI=1S/C13H29N3O/c1-5-16-8-6-12(7-9-16)15(4)10-13(2,11-17)14-3/h12,14,17H,5-11H2,1-4H3
InChIKeyWHBGEVUYUZLJCR-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds6

About 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol

3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64828162) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64828162
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol
SMILESCCN1CCC(N(C)CC(C)(CO)NC)CC1
InChIInChI=1S/C13H29N3O/c1-5-16-8-6-12(7-9-16)15(4)10-13(2,11-17)14-3/h12,14,17H,5-11H2,1-4H3
InChIKeyWHBGEVUYUZLJCR-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol (CID 64828162) is 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol is CCN1CCC(N(C)CC(C)(CO)NC)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is WHBGEVUYUZLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-16-8-6-12(7-9-16)15(4)10-13(2,11-17)14-3/h12,14,17H,5-11H2,1-4H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol?
3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64828162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).