[1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol

C14H18N4O3 — CID 118226395

IUPAC[1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol
SMILESCn1cc2cc([N+](=O)[O-])c(N3CCCC(CO)C3)cc2n1
InChIInChI=1S/C14H18N4O3/c1-16-8-11-5-14(18(20)21)13(6-12(11)15-16)17-4-2-3-10(7-17)9-19/h5-6,8,10,19H,2-4,7,9H2,1H3
InChIKeyRSFATCSDQWPCDS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.69
Rot. Bonds3

About [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol

[1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol (PubChem CID 118226395) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol
PubChem CID118226395
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol
SMILESCn1cc2cc([N+](=O)[O-])c(N3CCCC(CO)C3)cc2n1
InChIInChI=1S/C14H18N4O3/c1-16-8-11-5-14(18(20)21)13(6-12(11)15-16)17-4-2-3-10(7-17)9-19/h5-6,8,10,19H,2-4,7,9H2,1H3
InChIKeyRSFATCSDQWPCDS-UHFFFAOYSA-N
XLogP1.69
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-3-yl]methanol
CID 116739630
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
N,N-diethyl-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzenesulfonamide
CID 9311198
[1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperidin-3-yl]methanol
CID 42909709
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 81137665
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
[(3R)-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidin-3-yl]methanol
CID 9311200
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 9311264
[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol
CID 103080430
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 9311225
[(3S)-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-3-yl]methanol
CID 9311191

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol (CID 118226395) is [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol is Cn1cc2cc([N+](=O)[O-])c(N3CCCC(CO)C3)cc2n1.
What is the InChIKey of [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol?
The InChIKey is RSFATCSDQWPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-16-8-11-5-14(18(20)21)13(6-12(11)15-16)17-4-2-3-10(7-17)9-19/h5-6,8,10,19H,2-4,7,9H2,1H3.
What are the key properties of [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol?
[1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol has a molecular weight of 290.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 118226395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).