1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine

C21H33N3 — CID 92898605

IUPAC1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
SMILESCCCN1CCC(N2CCN(C/C=C\c3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3/c1-2-12-22-14-10-21(11-15-22)24-18-16-23(17-19-24)13-6-9-20-7-4-3-5-8-20/h3-9,21H,2,10-19H2,1H3/b9-6-
InChIKeyLDITZZXUUXBXMZ-TWGQIWQCSA-N
MW327.52 g/mol
LogP3.19
Rot. Bonds6

About 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine

1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine (PubChem CID 92898605) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
PubChem CID92898605
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
SMILESCCCN1CCC(N2CCN(C/C=C\c3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3/c1-2-12-22-14-10-21(11-15-22)24-18-16-23(17-19-24)13-6-9-20-7-4-3-5-8-20/h3-9,21H,2,10-19H2,1H3/b9-6-
InChIKeyLDITZZXUUXBXMZ-TWGQIWQCSA-N
XLogP3.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
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-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
CID 66569637
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
1-[(E)-3-phenylprop-2-enyl]-4-(9H-thioxanthen-9-yl)piperazine
CID 15723912

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine?
The IUPAC name of 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine (CID 92898605) is 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine is CCCN1CCC(N2CCN(C/C=C\c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine?
The InChIKey is LDITZZXUUXBXMZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C21H33N3/c1-2-12-22-14-10-21(11-15-22)24-18-16-23(17-19-24)13-6-9-20-7-4-3-5-8-20/h3-9,21H,2,10-19H2,1H3/b9-6-.
What are the key properties of 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine?
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine has a molecular weight of 327.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine is sourced from PubChem (CID 92898605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).