2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol

C10H20N2O2 — CID 89316583

IUPAC2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol
SMILES[H]/N=C(\C)N1CCC(C(CO)CO)CC1
InChIInChI=1S/C10H20N2O2/c1-8(11)12-4-2-9(3-5-12)10(6-13)7-14/h9-11,13-14H,2-7H2,1H3/b11-8+
InChIKeyPYRSFXUIHFYGAP-DHZHZOJOSA-N
MW200.28 g/mol
LogP0.30
Rot. Bonds3

About 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol

2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol (PubChem CID 89316583) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol
PubChem CID89316583
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol
SMILES[H]/N=C(\C)N1CCC(C(CO)CO)CC1
InChIInChI=1S/C10H20N2O2/c1-8(11)12-4-2-9(3-5-12)10(6-13)7-14/h9-11,13-14H,2-7H2,1H3/b11-8+
InChIKeyPYRSFXUIHFYGAP-DHZHZOJOSA-N
XLogP0.30
TPSA67.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol?
The IUPAC name of 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol (CID 89316583) is 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol.
What is the SMILES notation for 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol?
The canonical SMILES for 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol is [H]/N=C(\C)N1CCC(C(CO)CO)CC1.
What is the InChIKey of 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol?
The InChIKey is PYRSFXUIHFYGAP-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(11)12-4-2-9(3-5-12)10(6-13)7-14/h9-11,13-14H,2-7H2,1H3/b11-8+.
What are the key properties of 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol?
2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol has a molecular weight of 200.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethanimidoylpiperidin-4-yl)propane-1,3-diol is sourced from PubChem (CID 89316583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).