1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde

C17H23ClN2O — CID 62276949

IUPAC1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1
InChIInChI=1S/C17H23ClN2O/c18-15-5-1-2-6-16(15)20-11-9-19(10-12-20)13-17(14-21)7-3-4-8-17/h1-2,5-6,14H,3-4,7-13H2
InChIKeyIIOPLSWAXDPFSF-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.22
Rot. Bonds4

About 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde

1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62276949) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde
PubChem CID62276949
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1
InChIInChI=1S/C17H23ClN2O/c18-15-5-1-2-6-16(15)20-11-9-19(10-12-20)13-17(14-21)7-3-4-8-17/h1-2,5-6,14H,3-4,7-13H2
InChIKeyIIOPLSWAXDPFSF-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.22
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 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde (CID 62276949) is 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde is O=CC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1.
What is the InChIKey of 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is IIOPLSWAXDPFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-15-5-1-2-6-16(15)20-11-9-19(10-12-20)13-17(14-21)7-3-4-8-17/h1-2,5-6,14H,3-4,7-13H2.
What are the key properties of 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde?
1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 306.84 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62276949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).