4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol

C14H29NO3 — CID 175636399

IUPAC4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
SMILESCN1CCC(OCCCCOCCCCO)CC1
InChIInChI=1S/C14H29NO3/c1-15-8-6-14(7-9-15)18-13-5-4-12-17-11-3-2-10-16/h14,16H,2-13H2,1H3
InChIKeyWGKVNDCFOCNNFA-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.67
Rot. Bonds10

About 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol

4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol (PubChem CID 175636399) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol.

Molecular Properties

Compound Name4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
PubChem CID175636399
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
SMILESCN1CCC(OCCCCOCCCCO)CC1
InChIInChI=1S/C14H29NO3/c1-15-8-6-14(7-9-15)18-13-5-4-12-17-11-3-2-10-16/h14,16H,2-13H2,1H3
InChIKeyWGKVNDCFOCNNFA-UHFFFAOYSA-N
XLogP1.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
4-butoxy-1-methylpiperidine;ethane
CID 143443948
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
3-cyclopropyloxypropan-1-ol
CID 66696145
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
CID 115883361
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
ethane;N-[2-[2-[2-[2-[2-(1-methylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171081964
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile
CID 69021170

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol?
The IUPAC name of 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol (CID 175636399) is 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol.
What is the SMILES notation for 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol?
The canonical SMILES for 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol is CN1CCC(OCCCCOCCCCO)CC1.
What is the InChIKey of 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol?
The InChIKey is WGKVNDCFOCNNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-15-8-6-14(7-9-15)18-13-5-4-12-17-11-3-2-10-16/h14,16H,2-13H2,1H3.
What are the key properties of 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol?
4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol is sourced from PubChem (CID 175636399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).