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

C10H21N3O2 — CID 82696701

IUPAC3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(OCCO)CC1
InChIInChI=1S/C10H21N3O2/c11-10(12)3-6-13-4-1-9(2-5-13)15-8-7-14/h9,14H,1-8H2,(H3,11,12)
InChIKeySNHMJPNSGKINOM-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.21
Rot. Bonds6

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

3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide (PubChem CID 82696701) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide
PubChem CID82696701
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(OCCO)CC1
InChIInChI=1S/C10H21N3O2/c11-10(12)3-6-13-4-1-9(2-5-13)15-8-7-14/h9,14H,1-8H2,(H3,11,12)
InChIKeySNHMJPNSGKINOM-UHFFFAOYSA-N
XLogP-0.21
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.21
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]propanimidamide?
The IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide (CID 82696701) is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCC(OCCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide?
The InChIKey is SNHMJPNSGKINOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(12)3-6-13-4-1-9(2-5-13)15-8-7-14/h9,14H,1-8H2,(H3,11,12).
What are the key properties of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide?
3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of -0.21, 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]propanimidamide is sourced from PubChem (CID 82696701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).