1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid

C25H38N2O4 — CID 90483895

IUPAC1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(C2CCC(N3CCN(C4CCCCCC4)CC3)CC2)cc1
InChIInChI=1S/C23H36N2.C2H2O4/c1-2-7-11-22(10-6-1)24-16-18-25(19-17-24)23-14-12-21(13-15-23)20-8-4-3-5-9-20;3-1(4)2(5)6/h3-5,8-9,21-23H,1-2,6-7,10-19H2;(H,3,4)(H,5,6)
InChIKeyCODUGYUYFWFKTB-UHFFFAOYSA-N
MW430.59 g/mol
LogP4.21
Rot. Bonds3

About 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid

1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid (PubChem CID 90483895) has the molecular formula C25H38N2O4 and a molecular weight of 430.59 g/mol. Its IUPAC name is 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid
PubChem CID90483895
Molecular FormulaC25H38N2O4
Molecular Weight430.59 g/mol
Exact Mass430.28
IUPAC Name1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(C2CCC(N3CCN(C4CCCCCC4)CC3)CC2)cc1
InChIInChI=1S/C23H36N2.C2H2O4/c1-2-7-11-22(10-6-1)24-16-18-25(19-17-24)23-14-12-21(13-15-23)20-8-4-3-5-9-20;3-1(4)2(5)6/h3-5,8-9,21-23H,1-2,6-7,10-19H2;(H,3,4)(H,5,6)
InChIKeyCODUGYUYFWFKTB-UHFFFAOYSA-N
XLogP4.21
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
CID 23724195
Oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine
CID 2911895
oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine
CID 23724167
1-Benzhydryl-4-benzylpiperazine;oxalic acid
CID 23724260
Oxalic acid;2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 23723097
Oxalic acid;1-(2-phenylpropyl)piperidine
CID 23724331
4-(4-Benzylphenyl)-1-methylpiperidine;oxalic acid
CID 90674648
Piperazine, 1-(3-(2-benzylinden-3-yl)propyl)-4-methyl-, oxalate (1:2)
CID 203660
N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid
CID 11224812
4-(3-Benzylphenyl)-1-methylpiperidine;oxalic acid
CID 90674647
1-Ethanesulfonyl-4-(4-phenyl-cyclohexyl)-piperazine
CID 655358
1,4-Bis[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2901216

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid?
The IUPAC name of 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid (CID 90483895) is 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid.
What is the SMILES notation for 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid?
The canonical SMILES for 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid is O=C(O)C(=O)O.c1ccc(C2CCC(N3CCN(C4CCCCCC4)CC3)CC2)cc1.
What is the InChIKey of 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid?
The InChIKey is CODUGYUYFWFKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2.C2H2O4/c1-2-7-11-22(10-6-1)24-16-18-25(19-17-24)23-14-12-21(13-15-23)20-8-4-3-5-9-20;3-1(4)2(5)6/h3-5,8-9,21-23H,1-2,6-7,10-19H2;(H,3,4)(H,5,6).
What are the key properties of 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid?
1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid has a molecular weight of 430.59 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid is sourced from PubChem (CID 90483895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).