4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol

C14H20N2O3 — CID 73332914

IUPAC4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol
SMILESO=[N+]([O-])CC1(O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O3/c17-14(12-16(18)19)7-10-15(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-12H2
InChIKeyMSDOMKCZINBJGK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds5

About 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol

4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol (PubChem CID 73332914) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol
PubChem CID73332914
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol
SMILESO=[N+]([O-])CC1(O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O3/c17-14(12-16(18)19)7-10-15(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-12H2
InChIKeyMSDOMKCZINBJGK-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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'}

Analyze 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl [4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-yl] carbonate
CID 73332916
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
2-[1-benzyl-3-(nitromethyl)pyrrolidin-3-yl]acetic acid
CID 69082275
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine
CID 25223383
2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154663471

Frequently Asked Questions

What is the IUPAC name of 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol?
The IUPAC name of 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol (CID 73332914) is 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol.
What is the SMILES notation for 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol?
The canonical SMILES for 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol is O=[N+]([O-])CC1(O)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol?
The InChIKey is MSDOMKCZINBJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-14(12-16(18)19)7-10-15(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-12H2.
What are the key properties of 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol?
4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol has a molecular weight of 264.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(nitromethyl)-1-(2-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 73332914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).