(5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol

C14H17N3O3 — CID 43329878

IUPAC(5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol
SMILESO=[N+]([O-])c1ccc2[nH]cc(C(O)C3CCCNC3)c2c1
InChIInChI=1S/C14H17N3O3/c18-14(9-2-1-5-15-7-9)12-8-16-13-4-3-10(17(19)20)6-11(12)13/h3-4,6,8-9,14-16,18H,1-2,5,7H2
InChIKeyURECXZVELVCVKN-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.11
Rot. Bonds3

About (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol

(5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol (PubChem CID 43329878) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol.

Molecular Properties

Compound Name(5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol
PubChem CID43329878
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol
SMILESO=[N+]([O-])c1ccc2[nH]cc(C(O)C3CCCNC3)c2c1
InChIInChI=1S/C14H17N3O3/c18-14(9-2-1-5-15-7-9)12-8-16-13-4-3-10(17(19)20)6-11(12)13/h3-4,6,8-9,14-16,18H,1-2,5,7H2
InChIKeyURECXZVELVCVKN-UHFFFAOYSA-N
XLogP2.11
TPSA91.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
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

(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 43152058
(6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol
CID 43308985
piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol
CID 102626838
3-cyclohexyl-5-nitro-1H-indole
CID 90152657
3-[cyclopenta-1,3-dien-1-yl-(5-nitro-1H-indol-3-yl)methyl]-5-nitro-1H-indole
CID 139241936
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol
CID 106884964
(4-methoxy-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 83162965
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474115
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072
N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882

Frequently Asked Questions

What is the IUPAC name of (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol?
The IUPAC name of (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol (CID 43329878) is (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol.
What is the SMILES notation for (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol?
The canonical SMILES for (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol is O=[N+]([O-])c1ccc2[nH]cc(C(O)C3CCCNC3)c2c1.
What is the InChIKey of (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol?
The InChIKey is URECXZVELVCVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(9-2-1-5-15-7-9)12-8-16-13-4-3-10(17(19)20)6-11(12)13/h3-4,6,8-9,14-16,18H,1-2,5,7H2.
What are the key properties of (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol?
(5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol has a molecular weight of 275.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol is sourced from PubChem (CID 43329878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).