(6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol

C14H17N3O3 — CID 43308985

IUPAC(6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol
SMILESO=[N+]([O-])c1ccc2c(C(O)C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C14H17N3O3/c18-14(9-3-5-15-6-4-9)12-8-16-13-7-10(17(19)20)1-2-11(12)13/h1-2,7-9,14-16,18H,3-6H2
InChIKeyNCLXNPAYDYORIX-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.11
Rot. Bonds3

About (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol

(6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol (PubChem CID 43308985) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol
PubChem CID43308985
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol
SMILESO=[N+]([O-])c1ccc2c(C(O)C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C14H17N3O3/c18-14(9-3-5-15-6-4-9)12-8-16-13-7-10(17(19)20)1-2-11(12)13/h1-2,7-9,14-16,18H,3-6H2
InChIKeyNCLXNPAYDYORIX-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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Frequently Asked Questions

What is the IUPAC name of (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol?
The IUPAC name of (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol (CID 43308985) is (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol.
What is the SMILES notation for (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol?
The canonical SMILES for (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol is O=[N+]([O-])c1ccc2c(C(O)C3CCNCC3)c[nH]c2c1.
What is the InChIKey of (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol?
The InChIKey is NCLXNPAYDYORIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(9-3-5-15-6-4-9)12-8-16-13-7-10(17(19)20)1-2-11(12)13/h1-2,7-9,14-16,18H,3-6H2.
What are the key properties of (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol?
(6-nitro-1H-indol-3-yl)-piperidin-4-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 (6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol is sourced from PubChem (CID 43308985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).