(1-methylpiperidin-4-yl)methanediol

C7H15NO2 — CID 21366498

IUPAC(1-methylpiperidin-4-yl)methanediol
SMILESCN1CCC(C(O)O)CC1
InChIInChI=1S/C7H15NO2/c1-8-4-2-6(3-5-8)7(9)10/h6-7,9-10H,2-5H2,1H3
InChIKeyOYXSAUOTVKSLQX-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.36
Rot. Bonds1

About (1-methylpiperidin-4-yl)methanediol

(1-methylpiperidin-4-yl)methanediol (PubChem CID 21366498) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methanediol.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methanediol
PubChem CID21366498
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(1-methylpiperidin-4-yl)methanediol
SMILESCN1CCC(C(O)O)CC1
InChIInChI=1S/C7H15NO2/c1-8-4-2-6(3-5-8)7(9)10/h6-7,9-10H,2-5H2,1H3
InChIKeyOYXSAUOTVKSLQX-UHFFFAOYSA-N
XLogP-0.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methanediol?
The IUPAC name of (1-methylpiperidin-4-yl)methanediol (CID 21366498) is (1-methylpiperidin-4-yl)methanediol.
What is the SMILES notation for (1-methylpiperidin-4-yl)methanediol?
The canonical SMILES for (1-methylpiperidin-4-yl)methanediol is CN1CCC(C(O)O)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methanediol?
The InChIKey is OYXSAUOTVKSLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-4-2-6(3-5-8)7(9)10/h6-7,9-10H,2-5H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)methanediol?
(1-methylpiperidin-4-yl)methanediol has a molecular weight of 145.20 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methanediol is sourced from PubChem (CID 21366498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).