1-dodecyl-4-(1-nitrosoethenyl)piperidine

C19H36N2O — CID 58479421

IUPAC1-dodecyl-4-(1-nitrosoethenyl)piperidine
SMILESC=C(N=O)C1CCN(CCCCCCCCCCCC)CC1
InChIInChI=1S/C19H36N2O/c1-3-4-5-6-7-8-9-10-11-12-15-21-16-13-19(14-17-21)18(2)20-22/h19H,2-17H2,1H3
InChIKeyIWOOFQTUHXGKIZ-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.90
Rot. Bonds13

About 1-dodecyl-4-(1-nitrosoethenyl)piperidine

1-dodecyl-4-(1-nitrosoethenyl)piperidine (PubChem CID 58479421) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-dodecyl-4-(1-nitrosoethenyl)piperidine.

Molecular Properties

Compound Name1-dodecyl-4-(1-nitrosoethenyl)piperidine
PubChem CID58479421
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-dodecyl-4-(1-nitrosoethenyl)piperidine
SMILESC=C(N=O)C1CCN(CCCCCCCCCCCC)CC1
InChIInChI=1S/C19H36N2O/c1-3-4-5-6-7-8-9-10-11-12-15-21-16-13-19(14-17-21)18(2)20-22/h19H,2-17H2,1H3
InChIKeyIWOOFQTUHXGKIZ-UHFFFAOYSA-N
XLogP5.90
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-octadecylpiperidine-4-carboxamide
CID 4134920
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine
CID 177223957
N'-hydroxy-1-pentylpiperidine-4-carboximidamide
CID 77038507
1-octylpiperidin-4-ol
CID 62022103
4-fluoro-1-octylpiperidine
CID 130358850
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-4-(1-nitrosoethenyl)piperidine?
The IUPAC name of 1-dodecyl-4-(1-nitrosoethenyl)piperidine (CID 58479421) is 1-dodecyl-4-(1-nitrosoethenyl)piperidine.
What is the SMILES notation for 1-dodecyl-4-(1-nitrosoethenyl)piperidine?
The canonical SMILES for 1-dodecyl-4-(1-nitrosoethenyl)piperidine is C=C(N=O)C1CCN(CCCCCCCCCCCC)CC1.
What is the InChIKey of 1-dodecyl-4-(1-nitrosoethenyl)piperidine?
The InChIKey is IWOOFQTUHXGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-3-4-5-6-7-8-9-10-11-12-15-21-16-13-19(14-17-21)18(2)20-22/h19H,2-17H2,1H3.
What are the key properties of 1-dodecyl-4-(1-nitrosoethenyl)piperidine?
1-dodecyl-4-(1-nitrosoethenyl)piperidine has a molecular weight of 308.51 g/mol, XLogP of 5.90, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-4-(1-nitrosoethenyl)piperidine is sourced from PubChem (CID 58479421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).