1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde

C15H22N2O — CID 139471534

IUPAC1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde
SMILESO=CC1(N2CCN(CC3=CC=CCC3)CC2)CC1
InChIInChI=1S/C15H22N2O/c18-13-15(6-7-15)17-10-8-16(9-11-17)12-14-4-2-1-3-5-14/h1-2,4,13H,3,5-12H2
InChIKeyIWSHTZOMVDZDSO-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.61
Rot. Bonds4

About 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde

1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde (PubChem CID 139471534) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde
PubChem CID139471534
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde
SMILESO=CC1(N2CCN(CC3=CC=CCC3)CC2)CC1
InChIInChI=1S/C15H22N2O/c18-13-15(6-7-15)17-10-8-16(9-11-17)12-14-4-2-1-3-5-14/h1-2,4,13H,3,5-12H2
InChIKeyIWSHTZOMVDZDSO-UHFFFAOYSA-N
XLogP1.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.61
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-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde (CID 139471534) is 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde is O=CC1(N2CCN(CC3=CC=CCC3)CC2)CC1.
What is the InChIKey of 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde?
The InChIKey is IWSHTZOMVDZDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-13-15(6-7-15)17-10-8-16(9-11-17)12-14-4-2-1-3-5-14/h1-2,4,13H,3,5-12H2.
What are the key properties of 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde?
1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde has a molecular weight of 246.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 139471534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).