cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol

C13H21NO — CID 173000703

IUPACcyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)C2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h3,5-6,12-13,15H,2,4,7-10H2,1H3
InChIKeyNNUASMIVKGUODX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds2

About cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol

cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol (PubChem CID 173000703) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol
PubChem CID173000703
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)C2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h3,5-6,12-13,15H,2,4,7-10H2,1H3
InChIKeyNNUASMIVKGUODX-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Cyclohexen-1-ylmethyl)-3-piperidinol
CID 2845911
3-(1-Propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol
CID 54344402
(9S,9aR)-2-propyl-1,3,4,8,9,9a-hexahydrobenzo[e]isoindol-9-ol
CID 67855911
(9R,9aR)-2-propyl-1,3,4,8,9,9a-hexahydrobenzo[e]isoindol-9-ol
CID 67855976
(3R,4R)-4-cyclohexa-2,4-dien-1-yl-1-methylpiperidin-3-ol
CID 68028749
1-[1-[1-(Cyclohexa-1,5-dien-1-ylmethoxy)ethenyl]piperidin-4-yl]propan-1-ol
CID 68357158
1-Cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol
CID 70253865
(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596071
1-Methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596074
(3R,4S)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596075
(2S)-4-methyl-2-(piperidin-1-ylmethyl)cyclohexa-3,5-diene-1,3-diol
CID 71172701
3-[4-(Dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol
CID 71286528

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol (CID 173000703) is cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol is CN1CCC(C(O)C2=CCCC=C2)CC1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol?
The InChIKey is NNUASMIVKGUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h3,5-6,12-13,15H,2,4,7-10H2,1H3.
What are the key properties of cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol?
cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol has a molecular weight of 207.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 173000703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).