1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol

C14H23NO — CID 156797870

IUPAC1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCC1CCN(C2=CCC(C(C)O)C=C2)CC1
InChIInChI=1S/C14H23NO/c1-11-7-9-15(10-8-11)14-5-3-13(4-6-14)12(2)16/h3,5-6,11-13,16H,4,7-10H2,1-2H3
InChIKeySVOZGXIJSPJMSR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.56
Rot. Bonds2

About 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol

1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 156797870) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol
PubChem CID156797870
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCC1CCN(C2=CCC(C(C)O)C=C2)CC1
InChIInChI=1S/C14H23NO/c1-11-7-9-15(10-8-11)14-5-3-13(4-6-14)12(2)16/h3,5-6,11-13,16H,4,7-10H2,1-2H3
InChIKeySVOZGXIJSPJMSR-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-Methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162553994
N-hydroxyhexyltetrahydroquinoline
CID 67859558
2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 68757422
3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol
CID 70630584
1-(3-Methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine
CID 71286534
4-Piperidin-1-ylcyclohexa-2,4-dien-1-ol
CID 88992081
2-[1-(4-Methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol
CID 143067090
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)propan-2-ol
CID 149251496
1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol
CID 150112405
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol
CID 152751339
[1-[(3E,5Z)-5-methylhepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 153547216
1-[(4E,6E)-2-methyldeca-2,4,6-trien-5-yl]piperidin-4-ol
CID 156421147

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol (CID 156797870) is 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol is CC1CCN(C2=CCC(C(C)O)C=C2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is SVOZGXIJSPJMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-9-15(10-8-11)14-5-3-13(4-6-14)12(2)16/h3,5-6,11-13,16H,4,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol?
1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 156797870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).