N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine

C14H20N2O — CID 24695193

IUPACN-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c17-15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2
InChIKeyJAVCLHNLPYCMTF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.55
Rot. Bonds4

About N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine

N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 24695193) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine
PubChem CID24695193
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c17-15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2
InChIKeyJAVCLHNLPYCMTF-UHFFFAOYSA-N
XLogP2.55
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.55
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 N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine (CID 24695193) is N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is JAVCLHNLPYCMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2.
What are the key properties of N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 232.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 24695193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).