1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine

C12H15ClN2O3 — CID 175290845

IUPAC1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine
SMILESCOC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C12H15ClN2O3/c1-18-10-4-6-14(7-5-10)12-3-2-9(15(16)17)8-11(12)13/h2-3,8,10H,4-7H2,1H3
InChIKeyYPOOASWBWPTAPZ-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine

1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine (PubChem CID 175290845) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine
PubChem CID175290845
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine
SMILESCOC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C12H15ClN2O3/c1-18-10-4-6-14(7-5-10)12-3-2-9(15(16)17)8-11(12)13/h2-3,8,10H,4-7H2,1H3
InChIKeyYPOOASWBWPTAPZ-UHFFFAOYSA-N
XLogP2.86
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-nitrophenyl)-3-methoxypiperidine
CID 174760958
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
2-[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]oxyacetic acid
CID 63903538
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
1-(2-chloro-4-nitrophenyl)-4-(oxolan-3-ylmethoxy)piperidine
CID 133453040
1-[2-(3-methoxypyrrolidin-1-yl)-5-nitrophenyl]ethanone
CID 103534380
[1-(2-chloro-4-nitrophenyl)-5-methoxypiperidin-2-yl]methanol
CID 102414739
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 2887588
1-[4-(chloromethyl)-2-nitrophenyl]-4-methoxypiperidine
CID 43373094
1-(2-chloro-4-nitrophenyl)-4-methylsulfonylpiperazine
CID 2855626
tert-butyl N-[[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]methyl]carbamate
CID 162384000
tert-butyl N-[(3S)-1-(2-chloro-4-nitrophenyl)pyrrolidin-3-yl]carbamate
CID 133316274

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine (CID 175290845) is 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine is COC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine?
The InChIKey is YPOOASWBWPTAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-18-10-4-6-14(7-5-10)12-3-2-9(15(16)17)8-11(12)13/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine?
1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine has a molecular weight of 270.72 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine is sourced from PubChem (CID 175290845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).