N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine

C17H16Cl2N2O2 — CID 101045957

IUPACN-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine
SMILESON=C1C[C@@H](c2ccccc2Cl)N(O)[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-7-3-1-5-12(14)16-9-11(20-22)10-17(21(16)23)13-6-2-4-8-15(13)19/h1-8,16-17,22-23H,9-10H2/t16-,17-/m0/s1
InChIKeyCFKLEUPUWZKGFV-IRXDYDNUSA-N
MW351.23 g/mol
LogP5.09
Rot. Bonds2

About N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine

N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine (PubChem CID 101045957) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine
PubChem CID101045957
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine
SMILESON=C1C[C@@H](c2ccccc2Cl)N(O)[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-7-3-1-5-12(14)16-9-11(20-22)10-17(21(16)23)13-6-2-4-8-15(13)19/h1-8,16-17,22-23H,9-10H2/t16-,17-/m0/s1
InChIKeyCFKLEUPUWZKGFV-IRXDYDNUSA-N
XLogP5.09
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.23
LogP ≤ 55.09
H-Bond Donors ≤ 52
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

cis-(1R,2R)-2-(2-chlorophenyl)cyclopropan-1-amine
CID 39236190
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(2R)-2-(2-chlorophenyl)-1-(4-chlorophenyl)aziridine
CID 102086135
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
cis-(1S,2S)-2-(2-chlorophenyl)cyclopentan-1-ol
CID 94503761
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
4-[2-(2-chlorophenyl)aziridin-1-yl]-1,2,4-triazole
CID 57379922
(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 96614035
(3R,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124675407
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
3-(2-chlorophenyl)-1-methylazetidine
CID 167307075

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine (CID 101045957) is N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine is ON=C1C[C@@H](c2ccccc2Cl)N(O)[C@H](c2ccccc2Cl)C1.
What is the InChIKey of N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine?
The InChIKey is CFKLEUPUWZKGFV-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-14-7-3-1-5-12(14)16-9-11(20-22)10-17(21(16)23)13-6-2-4-8-15(13)19/h1-8,16-17,22-23H,9-10H2/t16-,17-/m0/s1.
What are the key properties of N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine?
N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine has a molecular weight of 351.23 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6S)-2,6-bis(2-chlorophenyl)-1-hydroxypiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 101045957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).