3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol

C19H25NO2 — CID 146124310

IUPAC3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol
SMILESCC1(O)CCCN(CCCOc2ccc3ccccc3c2)C1
InChIInChI=1S/C19H25NO2/c1-19(21)10-4-11-20(15-19)12-5-13-22-18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-9,14,21H,4-5,10-13,15H2,1H3
InChIKeyDJASTDXLHIIVHO-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.46
Rot. Bonds5

About 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol

3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol (PubChem CID 146124310) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol
PubChem CID146124310
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol
SMILESCC1(O)CCCN(CCCOc2ccc3ccccc3c2)C1
InChIInChI=1S/C19H25NO2/c1-19(21)10-4-11-20(15-19)12-5-13-22-18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-9,14,21H,4-5,10-13,15H2,1H3
InChIKeyDJASTDXLHIIVHO-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
CID 2246231
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 120775156
3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 91162955
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol
CID 99955193
7-(3-pyrrolidin-1-ylpropoxy)naphthalene-2-sulfonic acid
CID 86718873
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224
1-benzyl-3-methylpiperidin-3-ol
CID 15283107

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol?
The IUPAC name of 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol (CID 146124310) is 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol?
The canonical SMILES for 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol is CC1(O)CCCN(CCCOc2ccc3ccccc3c2)C1.
What is the InChIKey of 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol?
The InChIKey is DJASTDXLHIIVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(21)10-4-11-20(15-19)12-5-13-22-18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-9,14,21H,4-5,10-13,15H2,1H3.
What are the key properties of 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol?
3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol has a molecular weight of 299.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol is sourced from PubChem (CID 146124310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).