2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol

C14H23NO — CID 173071042

IUPAC2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol
SMILESCC1=CCCC=C1C1CCN(CCO)CC1
InChIInChI=1S/C14H23NO/c1-12-4-2-3-5-14(12)13-6-8-15(9-7-13)10-11-16/h4-5,13,16H,2-3,6-11H2,1H3
InChIKeyHBBLDFVKTABADS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.36
Rot. Bonds3

About 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol

2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol (PubChem CID 173071042) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol
PubChem CID173071042
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol
SMILESCC1=CCCC=C1C1CCN(CCO)CC1
InChIInChI=1S/C14H23NO/c1-12-4-2-3-5-14(12)13-6-8-15(9-7-13)10-11-16/h4-5,13,16H,2-3,6-11H2,1H3
InChIKeyHBBLDFVKTABADS-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol (CID 173071042) is 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol is CC1=CCCC=C1C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol?
The InChIKey is HBBLDFVKTABADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-4-2-3-5-14(12)13-6-8-15(9-7-13)10-11-16/h4-5,13,16H,2-3,6-11H2,1H3.
What are the key properties of 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol?
2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 173071042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).