4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol

C16H23N3O3 — CID 171286522

IUPAC4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1O
InChIInChI=1S/C16H23N3O3/c20-15-6-5-13(11-14(15)19(21)22)16(12-3-1-2-4-12)18-9-7-17-8-10-18/h5-6,11-12,16-17,20H,1-4,7-10H2/t16-/m1/s1
InChIKeyKJGRDMMZPWUOCG-MRXNPFEDSA-N
MW305.38 g/mol
LogP2.44
Rot. Bonds4

About 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol

4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol (PubChem CID 171286522) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol
PubChem CID171286522
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1O
InChIInChI=1S/C16H23N3O3/c20-15-6-5-13(11-14(15)19(21)22)16(12-3-1-2-4-12)18-9-7-17-8-10-18/h5-6,11-12,16-17,20H,1-4,7-10H2/t16-/m1/s1
InChIKeyKJGRDMMZPWUOCG-MRXNPFEDSA-N
XLogP2.44
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-2-nitrophenol;dihydrochloride
CID 171273897
5-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-nitrobenzene-1,2-diol
CID 171274218
1-[(R)-cyclopentyl-(4-methyl-3-nitrophenyl)methyl]piperazine
CID 171291399
1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine
CID 171291434
1-[(R)-cyclohexyl-(4-fluoro-3-nitrophenyl)methyl]piperazine
CID 171291436
1-[(S)-cyclopentyl-(4-methyl-3-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171278775
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171284859
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(R)-cyclopropyl-(4-methoxy-3-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171288633
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171284857
1-[(S)-(4-methyl-3-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278781

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol?
The IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol (CID 171286522) is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol.
What is the SMILES notation for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol?
The canonical SMILES for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol is O=[N+]([O-])c1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1O.
What is the InChIKey of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol?
The InChIKey is KJGRDMMZPWUOCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15-6-5-13(11-14(15)19(21)22)16(12-3-1-2-4-12)18-9-7-17-8-10-18/h5-6,11-12,16-17,20H,1-4,7-10H2/t16-/m1/s1.
What are the key properties of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol?
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol has a molecular weight of 305.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol is sourced from PubChem (CID 171286522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).