2-(4-methylpiperazin-1-yl)pentane-1,5-diol

C10H22N2O2 — CID 123489935

IUPAC2-(4-methylpiperazin-1-yl)pentane-1,5-diol
SMILESCN1CCN(C(CO)CCCO)CC1
InChIInChI=1S/C10H22N2O2/c1-11-4-6-12(7-5-11)10(9-14)3-2-8-13/h10,13-14H,2-9H2,1H3
InChIKeyYWRDJRWDTWZDAH-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.63
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)pentane-1,5-diol

2-(4-methylpiperazin-1-yl)pentane-1,5-diol (PubChem CID 123489935) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)pentane-1,5-diol.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)pentane-1,5-diol
PubChem CID123489935
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-(4-methylpiperazin-1-yl)pentane-1,5-diol
SMILESCN1CCN(C(CO)CCCO)CC1
InChIInChI=1S/C10H22N2O2/c1-11-4-6-12(7-5-11)10(9-14)3-2-8-13/h10,13-14H,2-9H2,1H3
InChIKeyYWRDJRWDTWZDAH-UHFFFAOYSA-N
XLogP-0.63
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)pentane-1,5-diol?
The IUPAC name of 2-(4-methylpiperazin-1-yl)pentane-1,5-diol (CID 123489935) is 2-(4-methylpiperazin-1-yl)pentane-1,5-diol.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)pentane-1,5-diol?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)pentane-1,5-diol is CN1CCN(C(CO)CCCO)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)pentane-1,5-diol?
The InChIKey is YWRDJRWDTWZDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-11-4-6-12(7-5-11)10(9-14)3-2-8-13/h10,13-14H,2-9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)pentane-1,5-diol?
2-(4-methylpiperazin-1-yl)pentane-1,5-diol has a molecular weight of 202.30 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)pentane-1,5-diol is sourced from PubChem (CID 123489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).