(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol

C14H20N2O3 — CID 95353429

IUPAC(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O3/c1-11(17)14-4-2-3-9-15(14)10-12-5-7-13(8-6-12)16(18)19/h5-8,11,14,17H,2-4,9-10H2,1H3/t11-,14-/m1/s1
InChIKeyTYCUZDCDMBIQQW-BXUZGUMPSA-N
MW264.32 g/mol
LogP2.33
Rot. Bonds4

About (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol

(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol (PubChem CID 95353429) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
PubChem CID95353429
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O3/c1-11(17)14-4-2-3-9-15(14)10-12-5-7-13(8-6-12)16(18)19/h5-8,11,14,17H,2-4,9-10H2,1H3/t11-,14-/m1/s1
InChIKeyTYCUZDCDMBIQQW-BXUZGUMPSA-N
XLogP2.33
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.33
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'}

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 86783289
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 129390025
1-[1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 59300179
(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol
CID 97086160
1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 63255250
2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol
CID 141293787
(2S)-2-(2,2-dimethylpropyl)-1-[(4-nitrophenyl)methyl]pyrrolidine
CID 59154581
1-[1-[(3-bromo-5-nitrophenyl)methyl]piperidin-2-yl]ethanamine
CID 103351301

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol (CID 95353429) is (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol is C[C@@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is TYCUZDCDMBIQQW-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(17)14-4-2-3-9-15(14)10-12-5-7-13(8-6-12)16(18)19/h5-8,11,14,17H,2-4,9-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol?
(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 95353429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).