[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol

C17H23NO3 — CID 66727236

IUPAC[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C17H23NO3/c19-12-14-5-4-8-18(11-14)17(15-6-2-1-3-7-15)16-13-20-9-10-21-16/h1-2,6,9-10,13-14,17,19H,3-5,7-8,11-12H2
InChIKeyNCHJBXXWRFOZSB-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.70
Rot. Bonds4

About [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol

[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 66727236) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID66727236
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C17H23NO3/c19-12-14-5-4-8-18(11-14)17(15-6-2-1-3-7-15)16-13-20-9-10-21-16/h1-2,6,9-10,13-14,17,19H,3-5,7-8,11-12H2
InChIKeyNCHJBXXWRFOZSB-UHFFFAOYSA-N
XLogP2.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-fluoropiperidin-3-yl]methanol
CID 66727241
ethyl 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperidine-3-carboxylate
CID 91541677
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
CID 172570725
CID 172570725
[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
CID 55014997
[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
CID 55021860
methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 111750143
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063

Frequently Asked Questions

What is the IUPAC name of [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol (CID 66727236) is [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol is OCC1CCCN(C(C2=CC=CCC2)C2=COC=CO2)C1.
What is the InChIKey of [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is NCHJBXXWRFOZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-12-14-5-4-8-18(11-14)17(15-6-2-1-3-7-15)16-13-20-9-10-21-16/h1-2,6,9-10,13-14,17,19H,3-5,7-8,11-12H2.
What are the key properties of [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol?
[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 289.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 66727236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).