1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol

C13H21NO2 — CID 90711064

IUPAC1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol
SMILESOCC(C1=CCCC=C1)N1CCC(O)CC1
InChIInChI=1S/C13H21NO2/c15-10-13(11-4-2-1-3-5-11)14-8-6-12(16)7-9-14/h2,4-5,12-13,15-16H,1,3,6-10H2
InChIKeyIQRINJKPIFRYBC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.08
Rot. Bonds3

About 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol

1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol (PubChem CID 90711064) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol
PubChem CID90711064
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol
SMILESOCC(C1=CCCC=C1)N1CCC(O)CC1
InChIInChI=1S/C13H21NO2/c15-10-13(11-4-2-1-3-5-11)14-8-6-12(16)7-9-14/h2,4-5,12-13,15-16H,1,3,6-10H2
InChIKeyIQRINJKPIFRYBC-UHFFFAOYSA-N
XLogP1.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol
CID 143971253
(2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol
CID 15939795
5-(1-Methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene)pentan-2-ol
CID 73201034
(Z)-5-((S)-9-Methyl-3,4-dihydro-1H-quinolizin-7(2H,6H,9aH)-ylidene)pentan-2-ol
CID 91735640
(5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol
CID 101333058
(5E)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol
CID 101385673
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
CID 87674939
1-[1-(6-Hydroxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-ol
CID 89688751
1-(Cyclohexa-1,3-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 90969510
1-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 91218835
(3S,6R)-6-ethyl-1-methyl-4-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 117945283
(4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol
CID 142590707

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol?
The IUPAC name of 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol (CID 90711064) is 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol.
What is the SMILES notation for 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol?
The canonical SMILES for 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol is OCC(C1=CCCC=C1)N1CCC(O)CC1.
What is the InChIKey of 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol?
The InChIKey is IQRINJKPIFRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-10-13(11-4-2-1-3-5-11)14-8-6-12(16)7-9-14/h2,4-5,12-13,15-16H,1,3,6-10H2.
What are the key properties of 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol?
1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol has a molecular weight of 223.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol is sourced from PubChem (CID 90711064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).