1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol

C16H27NO — CID 153368737

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CC1=CCCC=C1
InChIInChI=1S/C16H27NO/c1-15(2)10-14(18)11-16(3,4)17(15)12-13-8-6-5-7-9-13/h6,8-9,14,18H,5,7,10-12H2,1-4H3
InChIKeyKHFUYGRFIRRZEI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.28
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol

1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 153368737) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID153368737
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CC1=CCCC=C1
InChIInChI=1S/C16H27NO/c1-15(2)10-14(18)11-16(3,4)17(15)12-13-8-6-5-7-9-13/h6,8-9,14,18H,5,7,10-12H2,1-4H3
InChIKeyKHFUYGRFIRRZEI-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-4-piperidinol
CID 2846086
Cambridge id 5429856
CID 783454
1-(4-Hydroxypiperidino)phenylcyclohexane
CID 129664834
(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
(5E)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol
CID 101385673
1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 22323178
1-(5,5-Dimethylhex-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 54226921
2,2,6,6-Tetramethyl-1-undec-10-enylpiperidin-4-ol
CID 54476832
1-(1-Ethylcyclohexa-2,4-dien-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 69908928
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
CID 87674939

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol (CID 153368737) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1CC1=CCCC=C1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is KHFUYGRFIRRZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2)10-14(18)11-16(3,4)17(15)12-13-8-6-5-7-9-13/h6,8-9,14,18H,5,7,10-12H2,1-4H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 249.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 153368737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).