(1-ethanimidoylpiperidin-4-yl)methanediol

C8H16N2O2 — CID 142132193

IUPAC(1-ethanimidoylpiperidin-4-yl)methanediol
SMILES[H]/N=C(\C)N1CCC(C(O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-6(9)10-4-2-7(3-5-10)8(11)12/h7-9,11-12H,2-5H2,1H3/b9-6+
InChIKeyUKHAYHXKBIAWCK-RMKNXTFCSA-N
MW172.23 g/mol
LogP0.01
Rot. Bonds1

About (1-ethanimidoylpiperidin-4-yl)methanediol

(1-ethanimidoylpiperidin-4-yl)methanediol (PubChem CID 142132193) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1-ethanimidoylpiperidin-4-yl)methanediol.

Molecular Properties

Compound Name(1-ethanimidoylpiperidin-4-yl)methanediol
PubChem CID142132193
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(1-ethanimidoylpiperidin-4-yl)methanediol
SMILES[H]/N=C(\C)N1CCC(C(O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-6(9)10-4-2-7(3-5-10)8(11)12/h7-9,11-12H,2-5H2,1H3/b9-6+
InChIKeyUKHAYHXKBIAWCK-RMKNXTFCSA-N
XLogP0.01
TPSA67.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(Hydroperoxymethyl)piperidin-1-yl]ethanimine
CID 18727528
3-Imino-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 20637163
(1-Ethanimidoylpiperidin-4-yl)methanol
CID 59020702
2-(1-Ethanimidoylpiperidin-3-yl)ethanol
CID 59020818
2-(1-Ethanimidoylpiperidin-4-yl)ethanol
CID 59020836
1-[4-(Ethylperoxymethyl)piperidin-1-yl]ethanimine
CID 89063487
2-(1-Ethanimidoylpiperidin-3-yl)propane-1,3-diol
CID 89316584
Ethane;2-(1-ethanimidoylpiperidin-4-yl)ethanol
CID 142175203
4-[4-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133190
3-[4-(Hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368124
5-[4-(Hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61521371
2-[1-(2-Methylpropanimidoyl)piperidin-3-yl]ethanol
CID 107229078

Frequently Asked Questions

What is the IUPAC name of (1-ethanimidoylpiperidin-4-yl)methanediol?
The IUPAC name of (1-ethanimidoylpiperidin-4-yl)methanediol (CID 142132193) is (1-ethanimidoylpiperidin-4-yl)methanediol.
What is the SMILES notation for (1-ethanimidoylpiperidin-4-yl)methanediol?
The canonical SMILES for (1-ethanimidoylpiperidin-4-yl)methanediol is [H]/N=C(\C)N1CCC(C(O)O)CC1.
What is the InChIKey of (1-ethanimidoylpiperidin-4-yl)methanediol?
The InChIKey is UKHAYHXKBIAWCK-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)10-4-2-7(3-5-10)8(11)12/h7-9,11-12H,2-5H2,1H3/b9-6+.
What are the key properties of (1-ethanimidoylpiperidin-4-yl)methanediol?
(1-ethanimidoylpiperidin-4-yl)methanediol has a molecular weight of 172.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethanimidoylpiperidin-4-yl)methanediol is sourced from PubChem (CID 142132193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).