4-(cyclopentylmethyl)piperazine-1-carbaldehyde

C11H20N2O — CID 82076147

IUPAC4-(cyclopentylmethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CC2CCCC2)CC1
InChIInChI=1S/C11H20N2O/c14-10-13-7-5-12(6-8-13)9-11-3-1-2-4-11/h10-11H,1-9H2
InChIKeyBRPPLPMFHISOPT-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds3

About 4-(cyclopentylmethyl)piperazine-1-carbaldehyde

4-(cyclopentylmethyl)piperazine-1-carbaldehyde (PubChem CID 82076147) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(cyclopentylmethyl)piperazine-1-carbaldehyde
PubChem CID82076147
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(cyclopentylmethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CC2CCCC2)CC1
InChIInChI=1S/C11H20N2O/c14-10-13-7-5-12(6-8-13)9-11-3-1-2-4-11/h10-11H,1-9H2
InChIKeyBRPPLPMFHISOPT-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(cyclopentylmethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(cyclopentylmethyl)piperazine-1-carbaldehyde (CID 82076147) is 4-(cyclopentylmethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(cyclopentylmethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(cyclopentylmethyl)piperazine-1-carbaldehyde is O=CN1CCN(CC2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentylmethyl)piperazine-1-carbaldehyde?
The InChIKey is BRPPLPMFHISOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c14-10-13-7-5-12(6-8-13)9-11-3-1-2-4-11/h10-11H,1-9H2.
What are the key properties of 4-(cyclopentylmethyl)piperazine-1-carbaldehyde?
4-(cyclopentylmethyl)piperazine-1-carbaldehyde has a molecular weight of 196.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 82076147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).