[1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol

C14H20N2O3 — CID 22363136

IUPAC[1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(CCN2CCCCC2CO)cc1
InChIInChI=1S/C14H20N2O3/c17-11-14-3-1-2-9-15(14)10-8-12-4-6-13(7-5-12)16(18)19/h4-7,14,17H,1-3,8-11H2
InChIKeyPQVXAQNNIRAZID-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.98
Rot. Bonds5

About [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol

[1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol (PubChem CID 22363136) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol
PubChem CID22363136
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(CCN2CCCCC2CO)cc1
InChIInChI=1S/C14H20N2O3/c17-11-14-3-1-2-9-15(14)10-8-12-4-6-13(7-5-12)16(18)19/h4-7,14,17H,1-3,8-11H2
InChIKeyPQVXAQNNIRAZID-UHFFFAOYSA-N
XLogP1.98
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol (CID 22363136) is [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol is O=[N+]([O-])c1ccc(CCN2CCCCC2CO)cc1.
What is the InChIKey of [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol?
The InChIKey is PQVXAQNNIRAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-11-14-3-1-2-9-15(14)10-8-12-4-6-13(7-5-12)16(18)19/h4-7,14,17H,1-3,8-11H2.
What are the key properties of [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol?
[1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol has a molecular weight of 264.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-nitrophenyl)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 22363136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).