3-[(3-propoxypiperidin-1-yl)methyl]phenol

C15H23NO2 — CID 82986062

IUPAC3-[(3-propoxypiperidin-1-yl)methyl]phenol
SMILESCCCOC1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C15H23NO2/c1-2-9-18-15-7-4-8-16(12-15)11-13-5-3-6-14(17)10-13/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3
InChIKeyAZERBZSAMKOXFT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds5

About 3-[(3-propoxypiperidin-1-yl)methyl]phenol

3-[(3-propoxypiperidin-1-yl)methyl]phenol (PubChem CID 82986062) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[(3-propoxypiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-propoxypiperidin-1-yl)methyl]phenol
PubChem CID82986062
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[(3-propoxypiperidin-1-yl)methyl]phenol
SMILESCCCOC1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C15H23NO2/c1-2-9-18-15-7-4-8-16(12-15)11-13-5-3-6-14(17)10-13/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3
InChIKeyAZERBZSAMKOXFT-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
3-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]phenol
CID 82701584
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propoxypiperidin-1-yl)methyl]phenol?
The IUPAC name of 3-[(3-propoxypiperidin-1-yl)methyl]phenol (CID 82986062) is 3-[(3-propoxypiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-propoxypiperidin-1-yl)methyl]phenol?
The canonical SMILES for 3-[(3-propoxypiperidin-1-yl)methyl]phenol is CCCOC1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[(3-propoxypiperidin-1-yl)methyl]phenol?
The InChIKey is AZERBZSAMKOXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-9-18-15-7-4-8-16(12-15)11-13-5-3-6-14(17)10-13/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3.
What are the key properties of 3-[(3-propoxypiperidin-1-yl)methyl]phenol?
3-[(3-propoxypiperidin-1-yl)methyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propoxypiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82986062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).