1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine

C22H43NO — CID 134316434

IUPAC1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
SMILESC=C(OC1CC(C)(C)N(C)C(C)(C)C1)C(C)CCCCCCCC
InChIInChI=1S/C22H43NO/c1-9-10-11-12-13-14-15-18(2)19(3)24-20-16-21(4,5)23(8)22(6,7)17-20/h18,20H,3,9-17H2,1-2,4-8H3
InChIKeyDJKZKJQWRGIMLG-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.55
Rot. Bonds10

About 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine

1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine (PubChem CID 134316434) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
PubChem CID134316434
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
SMILESC=C(OC1CC(C)(C)N(C)C(C)(C)C1)C(C)CCCCCCCC
InChIInChI=1S/C22H43NO/c1-9-10-11-12-13-14-15-18(2)19(3)24-20-16-21(4,5)23(8)22(6,7)17-20/h18,20H,3,9-17H2,1-2,4-8H3
InChIKeyDJKZKJQWRGIMLG-UHFFFAOYSA-N
XLogP6.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
CID 122576180
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
CID 54571044
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
CID 141204239
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine
CID 141058691
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
CID 166830264
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
CID 20778574
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
tetracosan-6-ol
CID 154265400
nonacosane-7,20-diol
CID 174949468

Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine (CID 134316434) is 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine is C=C(OC1CC(C)(C)N(C)C(C)(C)C1)C(C)CCCCCCCC.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine?
The InChIKey is DJKZKJQWRGIMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-9-10-11-12-13-14-15-18(2)19(3)24-20-16-21(4,5)23(8)22(6,7)17-20/h18,20H,3,9-17H2,1-2,4-8H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine?
1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine has a molecular weight of 337.59 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine is sourced from PubChem (CID 134316434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).