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

C18H34N2O — CID 10236440

IUPAC1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol
SMILESCN1CCN(CC2CCCCCC2(O)C2CCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-19-11-13-20(14-12-19)15-17-9-3-2-6-10-18(17,21)16-7-4-5-8-16/h16-17,21H,2-15H2,1H3
InChIKeyCOPKDJSIKAJCKP-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.74
Rot. Bonds3

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

1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol (PubChem CID 10236440) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol
PubChem CID10236440
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol
SMILESCN1CCN(CC2CCCCCC2(O)C2CCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-19-11-13-20(14-12-19)15-17-9-3-2-6-10-18(17,21)16-7-4-5-8-16/h16-17,21H,2-15H2,1H3
InChIKeyCOPKDJSIKAJCKP-UHFFFAOYSA-N
XLogP2.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.74
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]cycloheptan-1-ol?
The IUPAC name of 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol (CID 10236440) is 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol is CN1CCN(CC2CCCCCC2(O)C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol?
The InChIKey is COPKDJSIKAJCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-19-11-13-20(14-12-19)15-17-9-3-2-6-10-18(17,21)16-7-4-5-8-16/h16-17,21H,2-15H2,1H3.
What are the key properties of 1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol?
1-cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 2.74, 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]cycloheptan-1-ol is sourced from PubChem (CID 10236440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).