ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine

C23H53N — CID 159909594

IUPACethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine
SMILESC.C.CC.CCCCC(C)CCCC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H39N.C2H6.2CH4/c1-8-9-11-16(2)12-10-13-17-14-18(3,4)20(7)19(5,6)15-17;1-2;;/h16-17H,8-15H2,1-7H3;1-2H3;2*1H4
InChIKeyNWZYQANPDAYVPX-UHFFFAOYSA-N
MW343.68 g/mol
LogP8.18
Rot. Bonds7

About ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine

ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine (PubChem CID 159909594) has the molecular formula C23H53N and a molecular weight of 343.68 g/mol. Its IUPAC name is ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine.

Molecular Properties

Compound Nameethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine
PubChem CID159909594
Molecular FormulaC23H53N
Molecular Weight343.68 g/mol
Exact Mass343.42
IUPAC Nameethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine
SMILESC.C.CC.CCCCC(C)CCCC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H39N.C2H6.2CH4/c1-8-9-11-16(2)12-10-13-17-14-18(3,4)20(7)19(5,6)15-17;1-2;;/h16-17H,8-15H2,1-7H3;1-2H3;2*1H4
InChIKeyNWZYQANPDAYVPX-UHFFFAOYSA-N
XLogP8.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.68
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436
1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine
CID 58288657
2-(4-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 139677886
CID 11459117
CID 11459117
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
CID 141204239
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
CID 134316434
5-oxo-5-[13-(1,2,2,6,6-pentamethylpiperidin-4-yl)tridecan-4-yloxy]pentane-1,2,3-tricarboxylic acid
CID 67514310
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine?
The IUPAC name of ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine (CID 159909594) is ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine.
What is the SMILES notation for ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine?
The canonical SMILES for ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine is C.C.CC.CCCCC(C)CCCC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine?
The InChIKey is NWZYQANPDAYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N.C2H6.2CH4/c1-8-9-11-16(2)12-10-13-17-14-18(3,4)20(7)19(5,6)15-17;1-2;;/h16-17H,8-15H2,1-7H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine?
ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine has a molecular weight of 343.68 g/mol, XLogP of 8.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine is sourced from PubChem (CID 159909594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).