1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol

C13H26N2O2 — CID 16876985

IUPAC1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COC2CCCC2)CC1
InChIInChI=1S/C13H26N2O2/c1-14-6-8-15(9-7-14)10-12(16)11-17-13-4-2-3-5-13/h12-13,16H,2-11H2,1H3
InChIKeyRNBYIGKRDGOGHG-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.55
Rot. Bonds5

About 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol

1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 16876985) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID16876985
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COC2CCCC2)CC1
InChIInChI=1S/C13H26N2O2/c1-14-6-8-15(9-7-14)10-12(16)11-17-13-4-2-3-5-13/h12-13,16H,2-11H2,1H3
InChIKeyRNBYIGKRDGOGHG-UHFFFAOYSA-N
XLogP0.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 16876985) is 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)COC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is RNBYIGKRDGOGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-6-8-15(9-7-14)10-12(16)11-17-13-4-2-3-5-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 16876985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).