1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride

C14H21Cl2N3O2 — CID 171285255

IUPAC1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.O=[N+]([O-])c1ccccc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C14H19N3O2.2ClH/c18-17(19)13-4-2-1-3-12(13)14(11-5-6-11)16-9-7-15-8-10-16;;/h1-4,11,14-15H,5-10H2;2*1H/t14-;;/m1../s1
InChIKeyHWIMPNPAAANTBZ-FMOMHUKBSA-N
MW334.25 g/mol
LogP2.79
Rot. Bonds4

About 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride (PubChem CID 171285255) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
PubChem CID171285255
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC Name1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.O=[N+]([O-])c1ccccc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C14H19N3O2.2ClH/c18-17(19)13-4-2-1-3-12(13)14(11-5-6-11)16-9-7-15-8-10-16;;/h1-4,11,14-15H,5-10H2;2*1H/t14-;;/m1../s1
InChIKeyHWIMPNPAAANTBZ-FMOMHUKBSA-N
XLogP2.79
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.79
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-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine
CID 171285254
1-[(S)-cyclopentyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171272631
1-[(S)-cyclobutyl-(2-nitrophenyl)methyl]piperazine
CID 171272628
1-[(S)-(2-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171272637
1-[(S)-(5-chloro-2-nitrophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171278399
1-[(1S)-2-cyclopropyl-1-(2-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171272643
1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine
CID 93464471
1-[(S)-cyclopropyl-(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine;dihydrochloride
CID 171279567
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171274651
1-[(R)-(5-chloro-2-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171291034
1-[(S)-cyclohexyl-(4-fluoro-2-nitrophenyl)methyl]piperazine
CID 171278193
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171284855

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride (CID 171285255) is 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride is Cl.Cl.O=[N+]([O-])c1ccccc1[C@@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is HWIMPNPAAANTBZ-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H19N3O2.2ClH/c18-17(19)13-4-2-1-3-12(13)14(11-5-6-11)16-9-7-15-8-10-16;;/h1-4,11,14-15H,5-10H2;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 334.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171285255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).