(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol

C12H16N2O3 — CID 764103

IUPAC(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
SMILESO=[N+]([O-])c1ccc(CN2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C12H16N2O3/c15-12-2-1-7-13(9-12)8-10-3-5-11(6-4-10)14(16)17/h3-6,12,15H,1-2,7-9H2/t12-/m1/s1
InChIKeyJZGUMNUJINRTOF-GFCCVEGCSA-N
MW236.27 g/mol
LogP1.55
Rot. Bonds3

About (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol

(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol (PubChem CID 764103) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
PubChem CID764103
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
SMILESO=[N+]([O-])c1ccc(CN2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C12H16N2O3/c15-12-2-1-7-13(9-12)8-10-3-5-11(6-4-10)14(16)17/h3-6,12,15H,1-2,7-9H2/t12-/m1/s1
InChIKeyJZGUMNUJINRTOF-GFCCVEGCSA-N
XLogP1.55
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.55
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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Related Compounds

1-[(4-nitrophenyl)methyl]azetidin-3-ol
CID 63282077
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
1-[(2-amino-5-nitrophenyl)methyl]piperidin-3-ol
CID 62208090
(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol
CID 97086160
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 107224880
(3S)-3-nitro-1-[(4-nitrophenyl)methyl]pyrrolidine
CID 51557271
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol
CID 110899702
1-[(4-nitrophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 175818169
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 61434501
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol (CID 764103) is (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol is O=[N+]([O-])c1ccc(CN2CCC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol?
The InChIKey is JZGUMNUJINRTOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12-2-1-7-13(9-12)8-10-3-5-11(6-4-10)14(16)17/h3-6,12,15H,1-2,7-9H2/t12-/m1/s1.
What are the key properties of (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol?
(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol has a molecular weight of 236.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 764103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).