(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine

C14H21N3O2 — CID 170459835

IUPAC(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine
SMILESC[C@@H]1CNCCN1CCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O2/c1-12-11-15-8-10-16(12)9-2-3-13-4-6-14(7-5-13)17(18)19/h4-7,12,15H,2-3,8-11H2,1H3/t12-/m1/s1
InChIKeyQBPBQFYTSIVDGH-GFCCVEGCSA-N
MW263.34 g/mol
LogP1.82
Rot. Bonds5

About (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine

(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine (PubChem CID 170459835) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine
PubChem CID170459835
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine
SMILESC[C@@H]1CNCCN1CCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O2/c1-12-11-15-8-10-16(12)9-2-3-13-4-6-14(7-5-13)17(18)19/h4-7,12,15H,2-3,8-11H2,1H3/t12-/m1/s1
InChIKeyQBPBQFYTSIVDGH-GFCCVEGCSA-N
XLogP1.82
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.82
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-[3-(4-chlorophenyl)propyl]-2-methylpiperazine
CID 82298365
(2R)-2-methyl-1-[2-(4-nitrophenoxy)ethyl]piperazine
CID 95656887
(3S)-3-methyl-1-[3-(4-nitrophenyl)propyl]piperazine
CID 170459827
(3R)-3-methyl-1-[3-(4-nitrophenyl)propyl]piperazine
CID 170459829
(2S)-2-methyl-1-[(4-nitrophenyl)methylsulfonyl]piperazine;hydrochloride
CID 120717167
(2R)-1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpiperazine
CID 82761275
(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82713118
(2R)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82714157
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 82755992
(2S)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpiperazine
CID 82714108
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
2,6-dimethyl-1-[(4-nitrophenyl)methylsulfonyl]piperazine
CID 63910802

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine?
The IUPAC name of (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine (CID 170459835) is (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine?
The canonical SMILES for (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine is C[C@@H]1CNCCN1CCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine?
The InChIKey is QBPBQFYTSIVDGH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12-11-15-8-10-16(12)9-2-3-13-4-6-14(7-5-13)17(18)19/h4-7,12,15H,2-3,8-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine?
(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine has a molecular weight of 263.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine is sourced from PubChem (CID 170459835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).