(1-ethanimidoyl-5-methylpiperidin-3-yl)methanol

C9H18N2O — CID 130804490

IUPAC(1-ethanimidoyl-5-methylpiperidin-3-yl)methanol
SMILES[H]/N=C(\C)N1CC(C)CC(CO)C1
InChIInChI=1S/C9H18N2O/c1-7-3-9(6-12)5-11(4-7)8(2)10/h7,9-10,12H,3-6H2,1-2H3/b10-8+
InChIKeyDAVAKIBGJSERMJ-CSKARUKUSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds1

About (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol

(1-ethanimidoyl-5-methylpiperidin-3-yl)methanol (PubChem CID 130804490) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-ethanimidoyl-5-methylpiperidin-3-yl)methanol
PubChem CID130804490
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(1-ethanimidoyl-5-methylpiperidin-3-yl)methanol
SMILES[H]/N=C(\C)N1CC(C)CC(CO)C1
InChIInChI=1S/C9H18N2O/c1-7-3-9(6-12)5-11(4-7)8(2)10/h7,9-10,12H,3-6H2,1-2H3/b10-8+
InChIKeyDAVAKIBGJSERMJ-CSKARUKUSA-N
XLogP0.93
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Hydroxyethyl)piperidine-1-carboximidamide
CID 3056393
3-(Hydroxymethyl)piperidine-1-carboximidamide
CID 19080875
3-Imino-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 20637163
2-(1-Octanimidoylpiperidin-4-yl)propan-1-ol
CID 53794051
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol
CID 54154578
(1-Ethanimidoylpiperidin-4-yl)methanol
CID 59020702
2-(1-Ethanimidoylpiperidin-3-yl)ethanol
CID 59020818
2-(1-Ethanimidoylpiperidin-4-yl)ethanol
CID 59020836
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
3-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
CID 62378686
(3R)-3-(hydroxymethyl)piperidine-1-carboximidamide
CID 67629083
(3S)-3-(hydroxymethyl)piperidine-1-carboximidamide
CID 67630035

Frequently Asked Questions

What is the IUPAC name of (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol?
The IUPAC name of (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol (CID 130804490) is (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol.
What is the SMILES notation for (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol?
The canonical SMILES for (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol is [H]/N=C(\C)N1CC(C)CC(CO)C1.
What is the InChIKey of (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol?
The InChIKey is DAVAKIBGJSERMJ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-3-9(6-12)5-11(4-7)8(2)10/h7,9-10,12H,3-6H2,1-2H3/b10-8+.
What are the key properties of (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol?
(1-ethanimidoyl-5-methylpiperidin-3-yl)methanol has a molecular weight of 170.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethanimidoyl-5-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 130804490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).