(7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol

C14H17N3O3 — CID 141443280

IUPAC(7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol
SMILESO=[N+]([O-])c1cc(CO)cc2cc(C3CCNCC3)[nH]c12
InChIInChI=1S/C14H17N3O3/c18-8-9-5-11-7-12(10-1-3-15-4-2-10)16-14(11)13(6-9)17(19)20/h5-7,10,15-16,18H,1-4,8H2
InChIKeyJDSJUKWFAPZWKB-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.04
Rot. Bonds3

About (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol

(7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol (PubChem CID 141443280) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol.

Molecular Properties

Compound Name(7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol
PubChem CID141443280
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol
SMILESO=[N+]([O-])c1cc(CO)cc2cc(C3CCNCC3)[nH]c12
InChIInChI=1S/C14H17N3O3/c18-8-9-5-11-7-12(10-1-3-15-4-2-10)16-14(11)13(6-9)17(19)20/h5-7,10,15-16,18H,1-4,8H2
InChIKeyJDSJUKWFAPZWKB-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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 (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol?
The IUPAC name of (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol (CID 141443280) is (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol.
What is the SMILES notation for (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol?
The canonical SMILES for (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol is O=[N+]([O-])c1cc(CO)cc2cc(C3CCNCC3)[nH]c12.
What is the InChIKey of (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol?
The InChIKey is JDSJUKWFAPZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-8-9-5-11-7-12(10-1-3-15-4-2-10)16-14(11)13(6-9)17(19)20/h5-7,10,15-16,18H,1-4,8H2.
What are the key properties of (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol?
(7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol has a molecular weight of 275.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-nitro-2-piperidin-4-yl-1H-indol-5-yl)methanol is sourced from PubChem (CID 141443280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).