4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde

C14H27N3O — CID 145416348

IUPAC4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde
SMILESCC1CCCC1N(C)CC1CN(C)CCN1C=O
InChIInChI=1S/C14H27N3O/c1-12-5-4-6-14(12)16(3)10-13-9-15(2)7-8-17(13)11-18/h11-14H,4-10H2,1-3H3
InChIKeyMUCPOMMBYFSCSK-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.88
Rot. Bonds4

About 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde

4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde (PubChem CID 145416348) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde
PubChem CID145416348
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde
SMILESCC1CCCC1N(C)CC1CN(C)CCN1C=O
InChIInChI=1S/C14H27N3O/c1-12-5-4-6-14(12)16(3)10-13-9-15(2)7-8-17(13)11-18/h11-14H,4-10H2,1-3H3
InChIKeyMUCPOMMBYFSCSK-UHFFFAOYSA-N
XLogP0.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde (CID 145416348) is 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde is CC1CCCC1N(C)CC1CN(C)CCN1C=O.
What is the InChIKey of 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde?
The InChIKey is MUCPOMMBYFSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-5-4-6-14(12)16(3)10-13-9-15(2)7-8-17(13)11-18/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde?
4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde has a molecular weight of 253.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 145416348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).