N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine

C12H14Cl2N2O — CID 12641830

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O/c13-11-2-1-9(7-12(11)14)8-16-5-3-10(15-17)4-6-16/h1-2,7,17H,3-6,8H2
InChIKeyBSTRPPSWQVZWGV-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.42
Rot. Bonds2

About N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 12641830) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine
PubChem CID12641830
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O/c13-11-2-1-9(7-12(11)14)8-16-5-3-10(15-17)4-6-16/h1-2,7,17H,3-6,8H2
InChIKeyBSTRPPSWQVZWGV-UHFFFAOYSA-N
XLogP3.42
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.42
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-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 65476999
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
1-(2-bromoethyl)-4-[(3,4-dichlorophenyl)methyl]piperazine
CID 80674464
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012504
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
3-chloro-4-[(4-hydroxyiminopiperidin-1-yl)methyl]benzonitrile
CID 102668228
1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-one
CID 59534346
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19295103
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine (CID 12641830) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine is ON=C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is BSTRPPSWQVZWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-11-2-1-9(7-12(11)14)8-16-5-3-10(15-17)4-6-16/h1-2,7,17H,3-6,8H2.
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 273.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 12641830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).