N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine

C11H16N2OS — CID 63775315

IUPACN-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c14-12-10-3-6-13(7-4-10)8-5-11-2-1-9-15-11/h1-2,9,14H,3-8H2
InChIKeyHXNGQFRQZALPIM-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.22
Rot. Bonds3

About N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine

N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 63775315) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID63775315
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c14-12-10-3-6-13(7-4-10)8-5-11-2-1-9-15-11/h1-2,9,14H,3-8H2
InChIKeyHXNGQFRQZALPIM-UHFFFAOYSA-N
XLogP2.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone
CID 24703567
1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile
CID 62416012
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 63775160
7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline
CID 175409113
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
CID 3387508
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889
1-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 47073365

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine (CID 63775315) is N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CCc2cccs2)CC1.
What is the InChIKey of N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is HXNGQFRQZALPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-12-10-3-6-13(7-4-10)8-5-11-2-1-9-15-11/h1-2,9,14H,3-8H2.
What are the key properties of N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 224.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 63775315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).