4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde

C14H16N2O2 — CID 85433979

IUPAC4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C14H16N2O2/c17-12-15-8-10-16(11-9-15)14(18)7-6-13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyQEVPIMPPNIMDNF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.00
Rot. Bonds3

About 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde

4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde (PubChem CID 85433979) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
PubChem CID85433979
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C14H16N2O2/c17-12-15-8-10-16(11-9-15)14(18)7-6-13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyQEVPIMPPNIMDNF-UHFFFAOYSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-1-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]prop-2-en-1-one
CID 108567613
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
ethyl 4-(3-phenylprop-2-enoyl)piperazine-1-carboxylate
CID 3334141
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
(E)-3-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 9048300
(E)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 108567719
(E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 8910877
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 4743077
(E)-4-(4-formylpiperazin-1-yl)-4-oxobut-2-enoic acid
CID 6087836
(E)-3-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 6014172

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde (CID 85433979) is 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde?
The InChIKey is QEVPIMPPNIMDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-12-15-8-10-16(11-9-15)14(18)7-6-13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde?
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 85433979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).