2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol

C14H23NO — CID 143067090

IUPAC2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol
SMILESCC1=CC=C(N2CCC(CCO)CC2)CC1
InChIInChI=1S/C14H23NO/c1-12-2-4-14(5-3-12)15-9-6-13(7-10-15)8-11-16/h2,4,13,16H,3,5-11H2,1H3
InChIKeyOTPRNTCIQFTHLO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.70
Rot. Bonds3

About 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol

2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol (PubChem CID 143067090) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol
PubChem CID143067090
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol
SMILESCC1=CC=C(N2CCC(CCO)CC2)CC1
InChIInChI=1S/C14H23NO/c1-12-2-4-14(5-3-12)15-9-6-13(7-10-15)8-11-16/h2,4,13,16H,3,5-11H2,1H3
InChIKeyOTPRNTCIQFTHLO-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-methyl-tetrahydroisoquinoline
CID 129678249
N-hydroxyhexyltetrahydroquinoline
CID 67859558
1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol
CID 70637382
5,6-Di(ethylidene)-1-methylpiperidin-2-ol
CID 123615765
[1-[(E)-hex-3-en-3-yl]piperidin-4-yl]methanol
CID 144102280
[1-[(3E,5Z)-5-methylhepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 153547216
(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
CID 154386511
1-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-2-ol
CID 163423969
2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol
CID 166944192
ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 178142444
1-[4-(4-Methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol
CID 156797870
[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 178142445

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol (CID 143067090) is 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol is CC1=CC=C(N2CCC(CCO)CC2)CC1.
What is the InChIKey of 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol?
The InChIKey is OTPRNTCIQFTHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-2-4-14(5-3-12)15-9-6-13(7-10-15)8-11-16/h2,4,13,16H,3,5-11H2,1H3.
What are the key properties of 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol?
2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 143067090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).