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

C14H20N2O3 — CID 97086160

IUPAC(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol
SMILESC[C@@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H20N2O3/c1-11(17)13-3-2-8-15(10-13)9-12-4-6-14(7-5-12)16(18)19/h4-7,11,13,17H,2-3,8-10H2,1H3/t11-,13-/m1/s1
InChIKeyRTJFLALKFPESOZ-DGCLKSJQSA-N
MW264.32 g/mol
LogP2.19
Rot. Bonds4

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

(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol (PubChem CID 97086160) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol
PubChem CID97086160
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol
SMILESC[C@@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H20N2O3/c1-11(17)13-3-2-8-15(10-13)9-12-4-6-14(7-5-12)16(18)19/h4-7,11,13,17H,2-3,8-10H2,1H3/t11-,13-/m1/s1
InChIKeyRTJFLALKFPESOZ-DGCLKSJQSA-N
XLogP2.19
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 ≤ 52.19
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 (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol 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

(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
CID 764103
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
1-(1-ethylpiperidin-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875393
(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 95353429
(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
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 129436530
1-[(4-nitrophenyl)methyl]azetidin-3-ol
CID 63282077
1-[(4-nitrophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 175818169
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
(3S)-1-[(4-bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid
CID 54608918

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol (CID 97086160) is (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol is C[C@@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol?
The InChIKey is RTJFLALKFPESOZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(17)13-3-2-8-15(10-13)9-12-4-6-14(7-5-12)16(18)19/h4-7,11,13,17H,2-3,8-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol?
(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 97086160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).