1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine

C13H17ClN2O3 — CID 163241518

IUPAC1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine
SMILESCOCC1CCCCN1c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H17ClN2O3/c1-19-9-10-5-2-3-8-15(10)13-11(14)6-4-7-12(13)16(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyXKSSZTHLZHUIAJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine

1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine (PubChem CID 163241518) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine
PubChem CID163241518
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine
SMILESCOCC1CCCCN1c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H17ClN2O3/c1-19-9-10-5-2-3-8-15(10)13-11(14)6-4-7-12(13)16(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyXKSSZTHLZHUIAJ-UHFFFAOYSA-N
XLogP3.25
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-2-(2-propylpiperidin-1-yl)benzoic acid
CID 115932561
3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline
CID 163241524
[1-(2-nitrophenyl)piperidin-2-yl]methyl methanesulfonate
CID 175714126
1-(2-chloro-5-isothiocyanato-4-nitrophenyl)-2-(methoxymethyl)pyrrolidine
CID 88532235
methyl 1-(2-methyl-6-nitrophenyl)piperidine-2-carboxylate
CID 115554053
2-(methoxymethyl)-1-(3-nitrophenyl)pyrrolidine;3-[2-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 158767207
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-6-nitrophenyl)methanone
CID 63659673
4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide
CID 163241609
2-[1-[(2-chloro-6-nitrophenyl)methyl]piperidin-2-yl]acetic acid
CID 63747020
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitroaniline
CID 62084070
[1-(2-chloro-6-nitrophenyl)piperidin-4-yl] carbamate
CID 175117649
1-(2-chloro-4,6-dinitrophenyl)-2-methylpiperidine
CID 50880002

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine?
The IUPAC name of 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine (CID 163241518) is 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine?
The canonical SMILES for 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine is COCC1CCCCN1c1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine?
The InChIKey is XKSSZTHLZHUIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-19-9-10-5-2-3-8-15(10)13-11(14)6-4-7-12(13)16(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine?
1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine has a molecular weight of 284.74 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine is sourced from PubChem (CID 163241518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).