3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide

C11H23N3O2 — CID 82695592

IUPAC3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(OCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-9(11(12)13)8-14-4-2-10(3-5-14)16-7-6-15/h9-10,15H,2-8H2,1H3,(H3,12,13)
InChIKeyHIAMMKQTUILMQO-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.03
Rot. Bonds6

About 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide

3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide (PubChem CID 82695592) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide
PubChem CID82695592
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(OCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-9(11(12)13)8-14-4-2-10(3-5-14)16-7-6-15/h9-10,15H,2-8H2,1H3,(H3,12,13)
InChIKeyHIAMMKQTUILMQO-UHFFFAOYSA-N
XLogP0.03
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide (CID 82695592) is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCC(OCCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide?
The InChIKey is HIAMMKQTUILMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(11(12)13)8-14-4-2-10(3-5-14)16-7-6-15/h9-10,15H,2-8H2,1H3,(H3,12,13).
What are the key properties of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide?
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 82695592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).