1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol

C12H15ClN2O4 — CID 130270921

IUPAC1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol
SMILESCOc1cc(N2CCC(O)CC2)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O4/c1-19-12-7-10(9(13)6-11(12)15(17)18)14-4-2-8(16)3-5-14/h6-8,16H,2-5H2,1H3
InChIKeyTWWKQKDUCBRWBO-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.22
Rot. Bonds3

About 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol

1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol (PubChem CID 130270921) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol
PubChem CID130270921
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol
SMILESCOc1cc(N2CCC(O)CC2)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O4/c1-19-12-7-10(9(13)6-11(12)15(17)18)14-4-2-8(16)3-5-14/h6-8,16H,2-5H2,1H3
InChIKeyTWWKQKDUCBRWBO-UHFFFAOYSA-N
XLogP2.22
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
CID 107260420
1-(2-bromo-5-methoxy-4-nitrophenyl)pyrrolidine
CID 169490477
2-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]guanidine
CID 178090277
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
(3S)-1-(5-chloro-2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 104892860
4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine
CID 122141995
1-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 107260518
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
1-[4-fluoro-2-[1-(3-methoxy-4-nitroanilino)ethyl]phenyl]piperidin-4-ol
CID 133454308
1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
CID 163617744
methyl 2-fluoro-5-(4-hydroxypiperidin-1-yl)-4-nitrobenzoate
CID 104699591

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol?
The IUPAC name of 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol (CID 130270921) is 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol?
The canonical SMILES for 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol is COc1cc(N2CCC(O)CC2)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol?
The InChIKey is TWWKQKDUCBRWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-19-12-7-10(9(13)6-11(12)15(17)18)14-4-2-8(16)3-5-14/h6-8,16H,2-5H2,1H3.
What are the key properties of 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol?
1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol has a molecular weight of 286.71 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol is sourced from PubChem (CID 130270921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).