1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine

C18H23NO — CID 175756656

IUPAC1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine
SMILESCOc1ccc(C2C=C(N3CCCCC3)C=CC2)cc1
InChIInChI=1S/C18H23NO/c1-20-18-10-8-15(9-11-18)16-6-5-7-17(14-16)19-12-3-2-4-13-19/h5,7-11,14,16H,2-4,6,12-13H2,1H3
InChIKeyBKLZEECBPXSGLA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds3

About 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine

1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine (PubChem CID 175756656) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine
PubChem CID175756656
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine
SMILESCOc1ccc(C2C=C(N3CCCCC3)C=CC2)cc1
InChIInChI=1S/C18H23NO/c1-20-18-10-8-15(9-11-18)16-6-5-7-17(14-16)19-12-3-2-4-13-19/h5,7-11,14,16H,2-4,6,12-13H2,1H3
InChIKeyBKLZEECBPXSGLA-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)piperidine
CID 10130315
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine
CID 83007160
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 58865749
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 101214644
2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
CID 23310773
1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
CID 144731565

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine?
The IUPAC name of 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine (CID 175756656) is 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine is COc1ccc(C2C=C(N3CCCCC3)C=CC2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine?
The InChIKey is BKLZEECBPXSGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-20-18-10-8-15(9-11-18)16-6-5-7-17(14-16)19-12-3-2-4-13-19/h5,7-11,14,16H,2-4,6,12-13H2,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine?
1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine is sourced from PubChem (CID 175756656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).