(NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine

C14H19ClN2O — CID 106863951

IUPAC(NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCc1ccc(CN2CC/C(=N\O)C(C)C2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10-3-4-12(13(15)7-10)9-17-6-5-14(16-18)11(2)8-17/h3-4,7,11,18H,5-6,8-9H2,1-2H3/b16-14+
InChIKeyJRGYVEZJYUCSCA-JQIJEIRASA-N
MW266.77 g/mol
LogP3.32
Rot. Bonds2

About (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 106863951) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID106863951
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCc1ccc(CN2CC/C(=N\O)C(C)C2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10-3-4-12(13(15)7-10)9-17-6-5-14(16-18)11(2)8-17/h3-4,7,11,18H,5-6,8-9H2,1-2H3/b16-14+
InChIKeyJRGYVEZJYUCSCA-JQIJEIRASA-N
XLogP3.32
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.32
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

(NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 105371892
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 106869306
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
3-(2-chloroethyl)-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidine
CID 106869928
2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
CID 114500701
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
3-tert-butyl-1-[(2-chloro-4-methylphenyl)methyl]piperazine
CID 106870295
2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 106865290
2-[1-[(2-chloro-4-methylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 106865351
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 107043401
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
CID 106869305

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine (CID 106863951) is (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine is Cc1ccc(CN2CC/C(=N\O)C(C)C2)c(Cl)c1.
What is the InChIKey of (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is JRGYVEZJYUCSCA-JQIJEIRASA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-3-4-12(13(15)7-10)9-17-6-5-14(16-18)11(2)8-17/h3-4,7,11,18H,5-6,8-9H2,1-2H3/b16-14+.
What are the key properties of (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
(NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 266.77 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 106863951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).