1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine

C20H31N3 — CID 2846660

IUPAC1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
SMILESCCN1CCC(N2CCN(CC=Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3/c1-2-21-13-10-20(11-14-21)23-17-15-22(16-18-23)12-6-9-19-7-4-3-5-8-19/h3-9,20H,2,10-18H2,1H3
InChIKeyFSIRVZKFRCLPGT-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.80
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine

1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 2846660) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
PubChem CID2846660
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
SMILESCCN1CCC(N2CCN(CC=Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3/c1-2-21-13-10-20(11-14-21)23-17-15-22(16-18-23)12-6-9-19-7-4-3-5-8-19/h3-9,20H,2,10-18H2,1H3
InChIKeyFSIRVZKFRCLPGT-UHFFFAOYSA-N
XLogP2.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 23940986
1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
CID 6916050
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine
CID 15723913
1-[(E)-3-phenylprop-2-enyl]-4-(9H-thioxanthen-9-yl)piperazine
CID 15723912
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine (CID 2846660) is 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine is CCN1CCC(N2CCN(CC=Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is FSIRVZKFRCLPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-2-21-13-10-20(11-14-21)23-17-15-22(16-18-23)12-6-9-19-7-4-3-5-8-19/h3-9,20H,2,10-18H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine?
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 313.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 2846660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).