(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine

C14H20N2O — CID 114501005

IUPAC(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESCc1ccc(CN2CC/C(=N\O)C(C)C2)cc1
InChIInChI=1S/C14H20N2O/c1-11-3-5-13(6-4-11)10-16-8-7-14(15-17)12(2)9-16/h3-6,12,17H,7-10H2,1-2H3/b15-14+
InChIKeyUUGOPTGVDUWTRE-CCEZHUSRSA-N
MW232.33 g/mol
LogP2.67
Rot. Bonds2

About (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine

(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 114501005) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
PubChem CID114501005
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESCc1ccc(CN2CC/C(=N\O)C(C)C2)cc1
InChIInChI=1S/C14H20N2O/c1-11-3-5-13(6-4-11)10-16-8-7-14(15-17)12(2)9-16/h3-6,12,17H,7-10H2,1-2H3/b15-14+
InChIKeyUUGOPTGVDUWTRE-CCEZHUSRSA-N
XLogP2.67
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.67
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-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine (CID 114501005) is (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine is Cc1ccc(CN2CC/C(=N\O)C(C)C2)cc1.
What is the InChIKey of (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is UUGOPTGVDUWTRE-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-3-5-13(6-4-11)10-16-8-7-14(15-17)12(2)9-16/h3-6,12,17H,7-10H2,1-2H3/b15-14+.
What are the key properties of (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine?
(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 232.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114501005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).