[1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol

C18H29NO — CID 89351787

IUPAC[1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol
SMILESC=CC1=CCC(C)C(CCN2CCCCC2CO)C=C1
InChIInChI=1S/C18H29NO/c1-3-16-8-7-15(2)17(10-9-16)11-13-19-12-5-4-6-18(19)14-20/h3,8-10,15,17-18,20H,1,4-7,11-14H2,2H3
InChIKeyABJRQTXXHRNRBH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.55
Rot. Bonds5

About [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol

[1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol (PubChem CID 89351787) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol
PubChem CID89351787
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol
SMILESC=CC1=CCC(C)C(CCN2CCCCC2CO)C=C1
InChIInChI=1S/C18H29NO/c1-3-16-8-7-15(2)17(10-9-16)11-13-19-12-5-4-6-18(19)14-20/h3,8-10,15,17-18,20H,1,4-7,11-14H2,2H3
InChIKeyABJRQTXXHRNRBH-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol (CID 89351787) is [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol is C=CC1=CCC(C)C(CCN2CCCCC2CO)C=C1.
What is the InChIKey of [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol?
The InChIKey is ABJRQTXXHRNRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-16-8-7-15(2)17(10-9-16)11-13-19-12-5-4-6-18(19)14-20/h3,8-10,15,17-18,20H,1,4-7,11-14H2,2H3.
What are the key properties of [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol?
[1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol has a molecular weight of 275.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 89351787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).