2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol

C23H38N2O — CID 69350880

IUPAC2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol
SMILESCc1ccc(C(CCCN2CCNCC2)C2CCCCCCC2O)cc1
InChIInChI=1S/C23H38N2O/c1-19-10-12-20(13-11-19)21(8-6-16-25-17-14-24-15-18-25)22-7-4-2-3-5-9-23(22)26/h10-13,21-24,26H,2-9,14-18H2,1H3
InChIKeyOKTAPAZDPARSEN-UHFFFAOYSA-N
MW358.57 g/mol
LogP4.10
Rot. Bonds6

About 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol

2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol (PubChem CID 69350880) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol
PubChem CID69350880
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC Name2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol
SMILESCc1ccc(C(CCCN2CCNCC2)C2CCCCCCC2O)cc1
InChIInChI=1S/C23H38N2O/c1-19-10-12-20(13-11-19)21(8-6-16-25-17-14-24-15-18-25)22-7-4-2-3-5-9-23(22)26/h10-13,21-24,26H,2-9,14-18H2,1H3
InChIKeyOKTAPAZDPARSEN-UHFFFAOYSA-N
XLogP4.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol?
The IUPAC name of 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol (CID 69350880) is 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol.
What is the SMILES notation for 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol?
The canonical SMILES for 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol is Cc1ccc(C(CCCN2CCNCC2)C2CCCCCCC2O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol?
The InChIKey is OKTAPAZDPARSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O/c1-19-10-12-20(13-11-19)21(8-6-16-25-17-14-24-15-18-25)22-7-4-2-3-5-9-23(22)26/h10-13,21-24,26H,2-9,14-18H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol?
2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol has a molecular weight of 358.57 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol is sourced from PubChem (CID 69350880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).