N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine

C15H18N3O+ — CID 135743752

IUPACN-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine
SMILESON=Cc1cc2ccccc2[nH+]c1N1CCCCC1
InChIInChI=1S/C15H17N3O/c19-16-11-13-10-12-6-2-3-7-14(12)17-15(13)18-8-4-1-5-9-18/h2-3,6-7,10-11,19H,1,4-5,8-9H2/p+1
InChIKeyYHVCGSGZRMOVNQ-UHFFFAOYSA-O
MW256.33 g/mol
LogP2.45
Rot. Bonds2

About N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine

N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine (PubChem CID 135743752) has the molecular formula C15H18N3O+ and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine
PubChem CID135743752
Molecular FormulaC15H18N3O+
Molecular Weight256.33 g/mol
Exact Mass256.14
IUPAC NameN-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine
SMILESON=Cc1cc2ccccc2[nH+]c1N1CCCCC1
InChIInChI=1S/C15H17N3O/c19-16-11-13-10-12-6-2-3-7-14(12)17-15(13)18-8-4-1-5-9-18/h2-3,6-7,10-11,19H,1,4-5,8-9H2/p+1
InChIKeyYHVCGSGZRMOVNQ-UHFFFAOYSA-O
XLogP2.45
TPSA49.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.45
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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Related Compounds

N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-1-ium-3-yl)methanimine
CID 135785211
6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde
CID 7460194
N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine
CID 2404385
N-(pyren-4-ylmethylidene)hydroxylamine
CID 3722226
(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine
CID 124501946
(3E)-5-chloro-3-[(2-morpholin-4-ylquinolin-1-ium-3-yl)methylidene]-1H-indol-2-one
CID 2663828
N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine
CID 3770998
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
CID 5031665
(NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine
CID 58310932
(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
CID 12008629
2-[(2-piperidin-1-ylphenyl)iminomethyl]phenol
CID 2356386
(E)-2-cyano-N-(3-methoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide
CID 9291824

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine (CID 135743752) is N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine is ON=Cc1cc2ccccc2[nH+]c1N1CCCCC1.
What is the InChIKey of N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine?
The InChIKey is YHVCGSGZRMOVNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N3O/c19-16-11-13-10-12-6-2-3-7-14(12)17-15(13)18-8-4-1-5-9-18/h2-3,6-7,10-11,19H,1,4-5,8-9H2/p+1.
What are the key properties of N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine?
N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine has a molecular weight of 256.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135743752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).