1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde

C14H26N2O — CID 62278265

IUPAC1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde
SMILESCCCN1CCN(CC2(C=O)CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-7-15-8-10-16(11-9-15)12-14(13-17)5-3-4-6-14/h13H,2-12H2,1H3
InChIKeyYMAXOWVVIDFOOU-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds5

About 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde

1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde (PubChem CID 62278265) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde
PubChem CID62278265
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde
SMILESCCCN1CCN(CC2(C=O)CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-7-15-8-10-16(11-9-15)12-14(13-17)5-3-4-6-14/h13H,2-12H2,1H3
InChIKeyYMAXOWVVIDFOOU-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(pyrrolidin-1-ylmethyl)cyclobutane-1-carbaldehyde
CID 143181443
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276780
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 107459312
1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276005
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62278259
4-(pyrrolidin-1-ylmethyl)oxane-4-carbaldehyde
CID 62391613
1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62276949
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine
CID 55218735
1-[(2-methylmorpholin-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276743
3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
CID 62277704
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde (CID 62278265) is 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde is CCCN1CCN(CC2(C=O)CCCC2)CC1.
What is the InChIKey of 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde?
The InChIKey is YMAXOWVVIDFOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-7-15-8-10-16(11-9-15)12-14(13-17)5-3-4-6-14/h13H,2-12H2,1H3.
What are the key properties of 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde?
1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde has a molecular weight of 238.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62278265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).