3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol

C12H25NO — CID 115872959

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol
SMILESCCC1(C)CCN(CC(C)CO)CC1
InChIInChI=1S/C12H25NO/c1-4-12(3)5-7-13(8-6-12)9-11(2)10-14/h11,14H,4-10H2,1-3H3
InChIKeyCGBGLKCRICQPNQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds4

About 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol

3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol (PubChem CID 115872959) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol
PubChem CID115872959
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol
SMILESCCC1(C)CCN(CC(C)CO)CC1
InChIInChI=1S/C12H25NO/c1-4-12(3)5-7-13(8-6-12)9-11(2)10-14/h11,14H,4-10H2,1-3H3
InChIKeyCGBGLKCRICQPNQ-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol (CID 115872959) is 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol is CCC1(C)CCN(CC(C)CO)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol?
The InChIKey is CGBGLKCRICQPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(3)5-7-13(8-6-12)9-11(2)10-14/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol?
3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 115872959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).