4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid

C24H32N2O4 — CID 2911508

IUPAC4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
SMILESCC1CCN(C2CCN(Cc3cccc4ccccc34)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H30N2.C2H2O4/c1-18-9-15-24(16-10-18)21-11-13-23(14-12-21)17-20-7-4-6-19-5-2-3-8-22(19)20;3-1(4)2(5)6/h2-8,18,21H,9-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyICXHCGMIYVPMJQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.69
Rot. Bonds3

About 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid

4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid (PubChem CID 2911508) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid.

Molecular Properties

Compound Name4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
PubChem CID2911508
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
SMILESCC1CCN(C2CCN(Cc3cccc4ccccc34)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H30N2.C2H2O4/c1-18-9-15-24(16-10-18)21-11-13-23(14-12-21)17-20-7-4-6-19-5-2-3-8-22(19)20;3-1(4)2(5)6/h2-8,18,21H,9-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyICXHCGMIYVPMJQ-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-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369313
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
CID 2910657
1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
CID 90483361
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
1-[(2-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 2880126
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849804
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid?
The IUPAC name of 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid (CID 2911508) is 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid.
What is the SMILES notation for 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid?
The canonical SMILES for 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid is CC1CCN(C2CCN(Cc3cccc4ccccc34)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid?
The InChIKey is ICXHCGMIYVPMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2.C2H2O4/c1-18-9-15-24(16-10-18)21-11-13-23(14-12-21)17-20-7-4-6-19-5-2-3-8-22(19)20;3-1(4)2(5)6/h2-8,18,21H,9-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid?
4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;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 4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid is sourced from PubChem (CID 2911508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).