1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol

C16H25NO2 — CID 127029872

IUPAC1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
SMILESCc1cccc(OCCCN2CCCC(O)C2)c1C
InChIInChI=1S/C16H25NO2/c1-13-6-3-8-16(14(13)2)19-11-5-10-17-9-4-7-15(18)12-17/h3,6,8,15,18H,4-5,7,9-12H2,1-2H3
InChIKeyBIZQZCCPCFDCTP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds5

About 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol

1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol (PubChem CID 127029872) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
PubChem CID127029872
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
SMILESCc1cccc(OCCCN2CCCC(O)C2)c1C
InChIInChI=1S/C16H25NO2/c1-13-6-3-8-16(14(13)2)19-11-5-10-17-9-4-7-15(18)12-17/h3,6,8,15,18H,4-5,7,9-12H2,1-2H3
InChIKeyBIZQZCCPCFDCTP-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol 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

1-[3-[2-methyl-3-[2-methyl-3-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]pyrrolidin-3-ol
CID 134282493
(3R)-1-[3-[3-[3-[3-[3-(hydroxymethyl)piperidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]pyrrolidin-3-ol
CID 134282554
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
(3R)-1-[5-(3-bromo-2-methylphenoxy)pentyl]pyrrolidin-3-ol
CID 134282650
1-[3-[3-[3-[3-(3-carboxypiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]piperidine-3-carboxylic acid
CID 175890294
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
CID 142756274
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
1-[[2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]methyl]azetidin-3-ol
CID 99933820
(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol
CID 134317956
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
CID 86869655
1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol
CID 138616878
(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
CID 24904595

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol?
The IUPAC name of 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol (CID 127029872) is 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol is Cc1cccc(OCCCN2CCCC(O)C2)c1C.
What is the InChIKey of 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol?
The InChIKey is BIZQZCCPCFDCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-6-3-8-16(14(13)2)19-11-5-10-17-9-4-7-15(18)12-17/h3,6,8,15,18H,4-5,7,9-12H2,1-2H3.
What are the key properties of 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol?
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol is sourced from PubChem (CID 127029872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).