4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol

C13H21NO — CID 91096213

IUPAC4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
SMILESOC1(CC2=CC=CCCC2)CCNCC1
InChIInChI=1S/C13H21NO/c15-13(7-9-14-10-8-13)11-12-5-3-1-2-4-6-12/h1,3,5,14-15H,2,4,6-11H2
InChIKeyLRTYOTJEMJCAFH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds2

About 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol

4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol (PubChem CID 91096213) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
PubChem CID91096213
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
SMILESOC1(CC2=CC=CCCC2)CCNCC1
InChIInChI=1S/C13H21NO/c15-13(7-9-14-10-8-13)11-12-5-3-1-2-4-6-12/h1,3,5,14-15H,2,4,6-11H2
InChIKeyLRTYOTJEMJCAFH-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 70875343
1-methyl-4-[(2S)-5-(propylamino)pentan-2-yl]cyclohex-3-en-1-ol
CID 89899534
(6S)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 117784864
4-(Cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 123461502
(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 123687881
1-[1-(6-Ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037017
4-Cyclohexa-1,3-dien-1-ylpiperidin-4-ol
CID 143193857
1-Cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol
CID 143215225
(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol
CID 143215332
4-[(2Z)-2-propa-1,2-dienylpenta-2,4-dienyl]piperidin-4-ol
CID 143443361
4-(3-Cyclohepta-1,4,6-trien-1-ylpropyl)piperidin-4-ol;ethane;pentane;prop-1-ene
CID 144056536
ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol
CID 144700167

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol (CID 91096213) is 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol is OC1(CC2=CC=CCCC2)CCNCC1.
What is the InChIKey of 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol?
The InChIKey is LRTYOTJEMJCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(7-9-14-10-8-13)11-12-5-3-1-2-4-6-12/h1,3,5,14-15H,2,4,6-11H2.
What are the key properties of 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol?
4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol has a molecular weight of 207.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 91096213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).