[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol

C16H26NO2+ — CID 7380355

IUPAC[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol
SMILESCC1CC[NH+](CCCOc2ccccc2CO)CC1
InChIInChI=1S/C16H25NO2/c1-14-7-10-17(11-8-14)9-4-12-19-16-6-3-2-5-15(16)13-18/h2-3,5-6,14,18H,4,7-13H2,1H3/p+1
InChIKeyCZBXPEUZZDHGGB-UHFFFAOYSA-O
MW264.39 g/mol
LogP1.26
Rot. Bonds6

About [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol

[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol (PubChem CID 7380355) has the molecular formula C16H26NO2+ and a molecular weight of 264.39 g/mol. Its IUPAC name is [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol
PubChem CID7380355
Molecular FormulaC16H26NO2+
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol
SMILESCC1CC[NH+](CCCOc2ccccc2CO)CC1
InChIInChI=1S/C16H25NO2/c1-14-7-10-17(11-8-14)9-4-12-19-16-6-3-2-5-15(16)13-18/h2-3,5-6,14,18H,4,7-13H2,1H3/p+1
InChIKeyCZBXPEUZZDHGGB-UHFFFAOYSA-O
XLogP1.26
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol 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-methyl-1-[2-(2-prop-2-enylphenoxy)ethyl]piperidin-1-ium
CID 2297396
1-[4-(2-iodophenoxy)butyl]-4-methylpiperidin-1-ium
CID 2269003
[2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 7380493
(2-octoxyphenyl)methanol
CID 43128604
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 7321439
2-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde
CID 7379355
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide
CID 9051562
2-[3-(4-carbamoylpiperidin-1-ium-1-yl)propoxy]benzoate
CID 42181320
1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium
CID 2237951
(2-hept-6-enoxyphenyl)methanol
CID 107007457

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol?
The IUPAC name of [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol (CID 7380355) is [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol.
What is the SMILES notation for [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol?
The canonical SMILES for [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol is CC1CC[NH+](CCCOc2ccccc2CO)CC1.
What is the InChIKey of [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol?
The InChIKey is CZBXPEUZZDHGGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25NO2/c1-14-7-10-17(11-8-14)9-4-12-19-16-6-3-2-5-15(16)13-18/h2-3,5-6,14,18H,4,7-13H2,1H3/p+1.
What are the key properties of [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol?
[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol has a molecular weight of 264.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol is sourced from PubChem (CID 7380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).