cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol

C18H23NO — CID 67987322

IUPACcyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol
SMILESOC(c1ccccc1)(C1C=CC=CC1)C1CCNCC1
InChIInChI=1S/C18H23NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-9,16-17,19-20H,10-14H2
InChIKeyUPQOSILBGCVTEI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.01
Rot. Bonds3

About cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol

cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol (PubChem CID 67987322) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol
PubChem CID67987322
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Namecyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol
SMILESOC(c1ccccc1)(C1C=CC=CC1)C1CCNCC1
InChIInChI=1S/C18H23NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-9,16-17,19-20H,10-14H2
InChIKeyUPQOSILBGCVTEI-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol?
The IUPAC name of cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol (CID 67987322) is cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol.
What is the SMILES notation for cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol?
The canonical SMILES for cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol is OC(c1ccccc1)(C1C=CC=CC1)C1CCNCC1.
What is the InChIKey of cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol?
The InChIKey is UPQOSILBGCVTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-9,16-17,19-20H,10-14H2.
What are the key properties of cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol?
cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol has a molecular weight of 269.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol is sourced from PubChem (CID 67987322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).