(NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine

C23H36N2O — CID 98155352

IUPAC(NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine
SMILESO/N=C1\CCCCCCCCCC[C@@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H36N2O/c26-24-22-14-10-5-3-1-2-4-6-11-15-23(22)25-18-16-21(17-19-25)20-12-8-7-9-13-20/h7-9,12-13,21,23,26H,1-6,10-11,14-19H2/b24-22+/t23-/m0/s1
InChIKeyMAFPEDHENQJTET-AYWGPLOBSA-N
MW356.55 g/mol
LogP5.98
Rot. Bonds2

About (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine

(NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine (PubChem CID 98155352) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine
PubChem CID98155352
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name(NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine
SMILESO/N=C1\CCCCCCCCCC[C@@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H36N2O/c26-24-22-14-10-5-3-1-2-4-6-11-15-23(22)25-18-16-21(17-19-25)20-12-8-7-9-13-20/h7-9,12-13,21,23,26H,1-6,10-11,14-19H2/b24-22+/t23-/m0/s1
InChIKeyMAFPEDHENQJTET-AYWGPLOBSA-N
XLogP5.98
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine (CID 98155352) is (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine is O/N=C1\CCCCCCCCCC[C@@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine?
The InChIKey is MAFPEDHENQJTET-AYWGPLOBSA-N. The full InChI is InChI=1S/C23H36N2O/c26-24-22-14-10-5-3-1-2-4-6-11-15-23(22)25-18-16-21(17-19-25)20-12-8-7-9-13-20/h7-9,12-13,21,23,26H,1-6,10-11,14-19H2/b24-22+/t23-/m0/s1.
What are the key properties of (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine?
(NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine has a molecular weight of 356.55 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine is sourced from PubChem (CID 98155352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).