1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol

C19H36N2O — CID 10171846

IUPAC1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol
SMILESCN1CCN(CC2CCCCCCC2(O)C2CCCC2)CC1
InChIInChI=1S/C19H36N2O/c1-20-12-14-21(15-13-20)16-18-10-4-2-3-7-11-19(18,22)17-8-5-6-9-17/h17-18,22H,2-16H2,1H3
InChIKeyLEDAONLBFYRDLG-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.13
Rot. Bonds3

About 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol

1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol (PubChem CID 10171846) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol
PubChem CID10171846
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol
SMILESCN1CCN(CC2CCCCCCC2(O)C2CCCC2)CC1
InChIInChI=1S/C19H36N2O/c1-20-12-14-21(15-13-20)16-18-10-4-2-3-7-11-19(18,22)17-8-5-6-9-17/h17-18,22H,2-16H2,1H3
InChIKeyLEDAONLBFYRDLG-UHFFFAOYSA-N
XLogP3.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol?
The IUPAC name of 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol (CID 10171846) is 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol.
What is the SMILES notation for 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol?
The canonical SMILES for 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol is CN1CCN(CC2CCCCCCC2(O)C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol?
The InChIKey is LEDAONLBFYRDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-20-12-14-21(15-13-20)16-18-10-4-2-3-7-11-19(18,22)17-8-5-6-9-17/h17-18,22H,2-16H2,1H3.
What are the key properties of 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol?
1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol has a molecular weight of 308.51 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol is sourced from PubChem (CID 10171846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).