(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol

C16H21N5O3 — CID 133384407

IUPAC(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
SMILESCc1cc(N2CCCC(C(O)c3nccn3C)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H21N5O3/c1-11-8-14(18-9-13(11)21(23)24)20-6-3-4-12(10-20)15(22)16-17-5-7-19(16)2/h5,7-9,12,15,22H,3-4,6,10H2,1-2H3
InChIKeyPBSUHOZBJAOCPT-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.98
Rot. Bonds4

About (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol

(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol (PubChem CID 133384407) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
PubChem CID133384407
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
SMILESCc1cc(N2CCCC(C(O)c3nccn3C)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H21N5O3/c1-11-8-14(18-9-13(11)21(23)24)20-6-3-4-12(10-20)15(22)16-17-5-7-19(16)2/h5,7-9,12,15,22H,3-4,6,10H2,1-2H3
InChIKeyPBSUHOZBJAOCPT-UHFFFAOYSA-N
XLogP1.98
TPSA97.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-nitrobenzonitrile
CID 133384561
1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
1-(4-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylic acid
CID 79174111
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384520
(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 133395692
(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 133339156
[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384643
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 99791620
[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79177007

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol (CID 133384407) is (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol is Cc1cc(N2CCCC(C(O)c3nccn3C)C2)ncc1[N+](=O)[O-].
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The InChIKey is PBSUHOZBJAOCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-8-14(18-9-13(11)21(23)24)20-6-3-4-12(10-20)15(22)16-17-5-7-19(16)2/h5,7-9,12,15,22H,3-4,6,10H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol has a molecular weight of 331.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol is sourced from PubChem (CID 133384407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).