4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane

C12H25NO3 — CID 143881000

IUPAC4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=CN1CCC(CO)CC1
InChIInChI=1S/C7H13NO2.C5H12O/c9-5-7-1-3-8(6-10)4-2-7;1-5(2,3)6-4/h6-7,9H,1-5H2;1-4H3
InChIKeyLQOATKHWOLJCFJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.28
Rot. Bonds2

About 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane

4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane (PubChem CID 143881000) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane
PubChem CID143881000
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=CN1CCC(CO)CC1
InChIInChI=1S/C7H13NO2.C5H12O/c9-5-7-1-3-8(6-10)4-2-7;1-5(2,3)6-4/h6-7,9H,1-5H2;1-4H3
InChIKeyLQOATKHWOLJCFJ-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-hydroxyethyl)piperidine-1-carbaldehyde
CID 7330460
3-(hydroxymethyl)pyrrolidine-1-carbaldehyde
CID 62372559
2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde
CID 142358939
4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde
CID 87381497
4-pentylpiperidine-1-carbaldehyde
CID 13418208
4-(bromomethyl)piperidine-1-carbaldehyde
CID 19812293
(1-formylpiperidin-4-yl)methylcarbamic acid
CID 156534111
4-[3-(methylamino)propyl]piperidine-1-carbaldehyde
CID 166684107
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 104567928
tert-butyl 4-(hydroxymethyl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 172691809
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde
CID 126718825

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane?
The IUPAC name of 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane (CID 143881000) is 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane.
What is the SMILES notation for 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane?
The canonical SMILES for 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane is COC(C)(C)C.O=CN1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane?
The InChIKey is LQOATKHWOLJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C5H12O/c9-5-7-1-3-8(6-10)4-2-7;1-5(2,3)6-4/h6-7,9H,1-5H2;1-4H3.
What are the key properties of 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane?
4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane has a molecular weight of 231.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane is sourced from PubChem (CID 143881000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).