1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol

C25H32N2O — CID 10199558

IUPAC1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C25H32N2O/c1-2-3-10-22(28)19-26-15-17-27(18-16-26)25-23-11-6-4-8-20(23)13-14-21-9-5-7-12-24(21)25/h2,4-9,11-12,22,25,28H,1,3,10,13-19H2
InChIKeyRJVQLCZGVPIMHB-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.82
Rot. Bonds6

About 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol

1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol (PubChem CID 10199558) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol
PubChem CID10199558
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C25H32N2O/c1-2-3-10-22(28)19-26-15-17-27(18-16-26)25-23-11-6-4-8-20(23)13-14-21-9-5-7-12-24(21)25/h2,4-9,11-12,22,25,28H,1,3,10,13-19H2
InChIKeyRJVQLCZGVPIMHB-UHFFFAOYSA-N
XLogP3.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol with MolForge

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Related Compounds

1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butan-2-ol
CID 11121672
(E)-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]prop-1-ene-1,2-diol
CID 11581107
3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]propan-1-ol
CID 11522885
(2S)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-[4-[(2S)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 94249691
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol
CID 3725440
1-but-3-ynyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazine
CID 101343557
4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butan-1-amine
CID 22397692
2-N,4-N-bis(prop-2-enyl)-6-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4,6-triamine;bis((E)-but-2-enedioic acid)
CID 67857735
1,3-bis[(2S)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-hydroxypropyl]benzimidazol-2-one
CID 99687838
1-(2,3-dihydro-1H-inden-1-yl)oct-7-en-1-ol
CID 107008599
1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol
CID 166232983
(2S)-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]hex-5-en-2-ol
CID 97321060

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol?
The IUPAC name of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol (CID 10199558) is 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol.
What is the SMILES notation for 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol?
The canonical SMILES for 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol is C=CCCC(O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol?
The InChIKey is RJVQLCZGVPIMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-2-3-10-22(28)19-26-15-17-27(18-16-26)25-23-11-6-4-8-20(23)13-14-21-9-5-7-12-24(21)25/h2,4-9,11-12,22,25,28H,1,3,10,13-19H2.
What are the key properties of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol?
1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol has a molecular weight of 376.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol is sourced from PubChem (CID 10199558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).