1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine

C17H26N4O2 — CID 30983093

IUPAC1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine
SMILESCCN1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C17H26N4O2/c1-2-18-9-7-16(8-10-18)20-13-11-19(12-14-20)15-3-5-17(6-4-15)21(22)23/h3-6,16H,2,7-14H2,1H3
InChIKeySAXFKNGVUPAISH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.20
Rot. Bonds4

About 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine

1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine (PubChem CID 30983093) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine
PubChem CID30983093
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine
SMILESCCN1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C17H26N4O2/c1-2-18-9-7-16(8-10-18)20-13-11-19(12-14-20)15-3-5-17(6-4-15)21(22)23/h3-6,16H,2,7-14H2,1H3
InChIKeySAXFKNGVUPAISH-UHFFFAOYSA-N
XLogP2.20
TPSA52.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylcyclohexyl)-4-(4-nitrophenyl)piperazine
CID 2846428
1-(4-nitrophenyl)-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride
CID 68755234
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
2-[1-[1-(4-nitrophenyl)piperidin-4-yl]azetidin-3-yl]propan-2-ol
CID 171547460
1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
CID 172592234
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
1-[1-(2-bromo-4-nitrophenyl)pyrrolidin-3-yl]-4-ethylpiperazine
CID 133320422
1-(4-nitrophenyl)-4-propylazepane
CID 163444919
tert-butyl 3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-1-carboxylate
CID 177318456
N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 19784343
1-(2-fluorophenyl)-4-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]piperazine
CID 1317592
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2988792

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine (CID 30983093) is 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine is CCN1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine?
The InChIKey is SAXFKNGVUPAISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-18-9-7-16(8-10-18)20-13-11-19(12-14-20)15-3-5-17(6-4-15)21(22)23/h3-6,16H,2,7-14H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine?
1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine has a molecular weight of 318.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine is sourced from PubChem (CID 30983093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).