4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine

C25H46N2 — CID 141053090

IUPAC4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine
SMILESCCCCCCCCCCCCc1ccn(C2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C25H46N2/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-18-27(21-22)23-19-24(2,3)26-25(4,5)20-23/h17-18,21,23,26H,6-16,19-20H2,1-5H3
InChIKeyBDEBMSFJGVYPRK-UHFFFAOYSA-N
MW374.66 g/mol
LogP7.43
Rot. Bonds12

About 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine

4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine (PubChem CID 141053090) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine
PubChem CID141053090
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC Name4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine
SMILESCCCCCCCCCCCCc1ccn(C2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C25H46N2/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-18-27(21-22)23-19-24(2,3)26-25(4,5)20-23/h17-18,21,23,26H,6-16,19-20H2,1-5H3
InChIKeyBDEBMSFJGVYPRK-UHFFFAOYSA-N
XLogP7.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-dodecyl-1-ethylpyrrole
CID 66960014
1-methyl-3-tricosylpyrrole
CID 68544519
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
CID 134179374
3-pentyl-1-phenylpyrrole
CID 177458956
3-propyl-1-undecylpyrrole;hydrochloride
CID 175874758
3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one
CID 139892665
1-butyl-4-nonylbenzene
CID 59545302
1,3-dibutylpyrrole;hydrochloride
CID 175874933
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
2,2,6,6-tetramethyl-4-[3-[4-[4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]phenyl]phenyl]propyl]piperidine
CID 118102539
1-dodecyl-3-propylpyrrole;formonitrile
CID 175849627

Frequently Asked Questions

What is the IUPAC name of 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine (CID 141053090) is 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine is CCCCCCCCCCCCc1ccn(C2CC(C)(C)NC(C)(C)C2)c1.
What is the InChIKey of 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine?
The InChIKey is BDEBMSFJGVYPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-18-27(21-22)23-19-24(2,3)26-25(4,5)20-23/h17-18,21,23,26H,6-16,19-20H2,1-5H3.
What are the key properties of 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine?
4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine has a molecular weight of 374.66 g/mol, XLogP of 7.43, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dodecylpyrrol-1-yl)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 141053090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).