(NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine

C15H22N2O — CID 24773712

IUPAC(NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine
SMILESO/N=C/C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c18-16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,13,15,18H,4,7-12H2/b16-13+
InChIKeyXEUGRELAZPRVAO-DTQAZKPQSA-N
MW246.35 g/mol
LogP2.79
Rot. Bonds5

About (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine

(NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine (PubChem CID 24773712) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine
PubChem CID24773712
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine
SMILESO/N=C/C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c18-16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,13,15,18H,4,7-12H2/b16-13+
InChIKeyXEUGRELAZPRVAO-DTQAZKPQSA-N
XLogP2.79
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.79
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-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine (CID 24773712) is (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine is O/N=C/C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine?
The InChIKey is XEUGRELAZPRVAO-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H22N2O/c18-16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,13,15,18H,4,7-12H2/b16-13+.
What are the key properties of (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine?
(NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine has a molecular weight of 246.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1-(3-phenylpropyl)piperidin-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 24773712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).