2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol

C18H27N3O4 — CID 171296794

IUPAC2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])cc([C@@H](C2CCCCC2)N2CCNCC2)c1O
InChIInChI=1S/C18H27N3O4/c1-25-16-12-14(21(23)24)11-15(18(16)22)17(13-5-3-2-4-6-13)20-9-7-19-8-10-20/h11-13,17,19,22H,2-10H2,1H3/t17-/m1/s1
InChIKeyMCGAGDGNYJFIIZ-QGZVFWFLSA-N
MW349.43 g/mol
LogP2.84
Rot. Bonds5

About 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol

2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol (PubChem CID 171296794) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol.

Molecular Properties

Compound Name2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol
PubChem CID171296794
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])cc([C@@H](C2CCCCC2)N2CCNCC2)c1O
InChIInChI=1S/C18H27N3O4/c1-25-16-12-14(21(23)24)11-15(18(16)22)17(13-5-3-2-4-6-13)20-9-7-19-8-10-20/h11-13,17,19,22H,2-10H2,1H3/t17-/m1/s1
InChIKeyMCGAGDGNYJFIIZ-QGZVFWFLSA-N
XLogP2.84
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol 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

2-bromo-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171294946
2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-6-methoxy-4-nitrophenol
CID 171284161
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171284859
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171302213
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171284857
1-[(S)-cyclobutyl-(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine
CID 171282438
2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171296778
2-bromo-6-[(R)-cyclopropyl(piperazin-1-yl)methyl]-4-nitrophenol;dihydrochloride
CID 171294941
1-[(R)-(2-chloro-5-nitrophenyl)-cyclohexylmethyl]piperazine
CID 171291272
2,3-dibromo-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxyphenol
CID 171283687
1-[(S)-(2-chloro-5-nitrophenyl)-cyclohexylmethyl]piperazine
CID 171278647
2-methoxy-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]-4-nitrophenol;dihydrochloride
CID 171284186

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol?
The IUPAC name of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol (CID 171296794) is 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol.
What is the SMILES notation for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol?
The canonical SMILES for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol is COc1cc([N+](=O)[O-])cc([C@@H](C2CCCCC2)N2CCNCC2)c1O.
What is the InChIKey of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol?
The InChIKey is MCGAGDGNYJFIIZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-25-16-12-14(21(23)24)11-15(18(16)22)17(13-5-3-2-4-6-13)20-9-7-19-8-10-20/h11-13,17,19,22H,2-10H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol?
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol has a molecular weight of 349.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol is sourced from PubChem (CID 171296794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).