1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid

C24H32N2O4 — CID 90483361

IUPAC1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
SMILESCC1CCCC(N2CCN(Cc3cccc4ccccc34)CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C22H30N2.C2H2O4/c1-18-6-4-10-21(16-18)24-14-12-23(13-15-24)17-20-9-5-8-19-7-2-3-11-22(19)20;3-1(4)2(5)6/h2-3,5,7-9,11,18,21H,4,6,10,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeySFGAUBMQBNIIMN-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.69
Rot. Bonds3

About 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid

1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid (PubChem CID 90483361) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
PubChem CID90483361
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
SMILESCC1CCCC(N2CCN(Cc3cccc4ccccc34)CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C22H30N2.C2H2O4/c1-18-6-4-10-21(16-18)24-14-12-23(13-15-24)17-20-9-5-8-19-7-2-3-11-22(19)20;3-1(4)2(5)6/h2-3,5,7-9,11,18,21H,4,6,10,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeySFGAUBMQBNIIMN-UHFFFAOYSA-N
XLogP3.69
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.69
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-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 2879992
1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 17366738
4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
CID 2911508
1-[(2-bromophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1360754
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366301
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369313
1-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 90483881
1-[(1R,3R)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148348
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
1-[(2-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 2880126

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid?
The IUPAC name of 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid (CID 90483361) is 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid.
What is the SMILES notation for 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid?
The canonical SMILES for 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid is CC1CCCC(N2CCN(Cc3cccc4ccccc34)CC2)C1.O=C(O)C(=O)O.
What is the InChIKey of 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid?
The InChIKey is SFGAUBMQBNIIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2.C2H2O4/c1-18-6-4-10-21(16-18)24-14-12-23(13-15-24)17-20-9-5-8-19-7-2-3-11-22(19)20;3-1(4)2(5)6/h2-3,5,7-9,11,18,21H,4,6,10,12-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid?
1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid has a molecular weight of 412.53 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid is sourced from PubChem (CID 90483361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).