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

C29H42N2O — CID 10137806

IUPAC1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]decan-2-ol
SMILESCCCCCCCCC(O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C29H42N2O/c1-2-3-4-5-6-7-14-26(32)23-30-19-21-31(22-20-30)29-27-15-10-8-12-24(27)17-18-25-13-9-11-16-28(25)29/h8-13,15-16,26,29,32H,2-7,14,17-23H2,1H3
InChIKeyDAJDDWFJQKPPBN-UHFFFAOYSA-N
MW434.67 g/mol
LogP5.60
Rot. Bonds10

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

1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]decan-2-ol (PubChem CID 10137806) has the molecular formula C29H42N2O and a molecular weight of 434.67 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]decan-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]decan-2-ol
PubChem CID10137806
Molecular FormulaC29H42N2O
Molecular Weight434.67 g/mol
Exact Mass434.33
IUPAC Name1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]decan-2-ol
SMILESCCCCCCCCC(O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C29H42N2O/c1-2-3-4-5-6-7-14-26(32)23-30-19-21-31(22-20-30)29-27-15-10-8-12-24(27)17-18-25-13-9-11-16-28(25)29/h8-13,15-16,26,29,32H,2-7,14,17-23H2,1H3
InChIKeyDAJDDWFJQKPPBN-UHFFFAOYSA-N
XLogP5.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.67
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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]decan-2-ol with MolForge

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Related Compounds

[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
2-(4-Benzylpiperazino)-1-phenyl-1-ethanol
CID 2767001
Piperazine derivative, 10
CID 71463395
4-(Diphenylmethyl)-1-piperazineethanol
CID 4742573
1-Benzhydryl-4-hexylpiperidin-4-ol
CID 44430026
Piperazine derivative, 8
CID 71463394
Piperazine derivative, 9
CID 71463396
Piperazine derivative, 11
CID 71463397
Piperazine derivative, 12
CID 71463398
Piperazine derivative, 15
CID 71463401
trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
CID 15925775
2-{1-Methyl-4-[(2'-methylbiphenyl-4-yl)methyl]piperazin-2-yl}ethanol
CID 23723600

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]decan-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]decan-2-ol (CID 10137806) is 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]decan-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]decan-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]decan-2-ol is CCCCCCCCC(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]decan-2-ol?
The InChIKey is DAJDDWFJQKPPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O/c1-2-3-4-5-6-7-14-26(32)23-30-19-21-31(22-20-30)29-27-15-10-8-12-24(27)17-18-25-13-9-11-16-28(25)29/h8-13,15-16,26,29,32H,2-7,14,17-23H2,1H3.
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]decan-2-ol?
1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]decan-2-ol has a molecular weight of 434.67 g/mol, XLogP of 5.60, 10 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]decan-2-ol is sourced from PubChem (CID 10137806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).