2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C17H27NO2 — CID 142532065

IUPAC2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)COCC2=CCCC=C2)CC1
InChIInChI=1S/C17H27NO2/c1-14(2)16-8-10-18(11-9-16)17(19)13-20-12-15-6-4-3-5-7-15/h4,6-7,14,16H,3,5,8-13H2,1-2H3
InChIKeyTXQFIGRRZNKUSR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds5

About 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 142532065) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID142532065
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)COCC2=CCCC=C2)CC1
InChIInChI=1S/C17H27NO2/c1-14(2)16-8-10-18(11-9-16)17(19)13-20-12-15-6-4-3-5-7-15/h4,6-7,14,16H,3,5,8-13H2,1-2H3
InChIKeyTXQFIGRRZNKUSR-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155031564
1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 61242500

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 142532065) is 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)C1CCN(C(=O)COCC2=CCCC=C2)CC1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is TXQFIGRRZNKUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)16-8-10-18(11-9-16)17(19)13-20-12-15-6-4-3-5-7-15/h4,6-7,14,16H,3,5,8-13H2,1-2H3.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 142532065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).