1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine

C29H30N2 — CID 163463970

IUPAC1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(C23CCC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C29H30N2/c1-2-9-23(10-3-1)11-8-18-30-19-21-31(22-20-30)29-17-16-24(25-12-4-6-14-27(25)29)26-13-5-7-15-28(26)29/h1-15,24H,16-22H2
InChIKeyBQYSASBICVPKGC-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.50
Rot. Bonds4

About 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine

1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine (PubChem CID 163463970) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine
PubChem CID163463970
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(C23CCC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C29H30N2/c1-2-9-23(10-3-1)11-8-18-30-19-21-31(22-20-30)29-17-16-24(25-12-4-6-14-27(25)29)26-13-5-7-15-28(26)29/h1-15,24H,16-22H2
InChIKeyBQYSASBICVPKGC-UHFFFAOYSA-N
XLogP5.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 23940986
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
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
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine?
The IUPAC name of 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine (CID 163463970) is 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine?
The canonical SMILES for 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine is C(=Cc1ccccc1)CN1CCN(C23CCC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine?
The InChIKey is BQYSASBICVPKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-2-9-23(10-3-1)11-8-18-30-19-21-31(22-20-30)29-17-16-24(25-12-4-6-14-27(25)29)26-13-5-7-15-28(26)29/h1-15,24H,16-22H2.
What are the key properties of 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine?
1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine has a molecular weight of 406.57 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine is sourced from PubChem (CID 163463970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).