[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol

C12H21N3O — CID 82891582

IUPAC[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol
SMILESCN1CCN(CCn2ccc(CO)c2)CC1
InChIInChI=1S/C12H21N3O/c1-13-4-6-14(7-5-13)8-9-15-3-2-12(10-15)11-16/h2-3,10,16H,4-9,11H2,1H3
InChIKeyBVGHNSJJPHUAGZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.23
Rot. Bonds4

About [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol

[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol (PubChem CID 82891582) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol
PubChem CID82891582
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol
SMILESCN1CCN(CCn2ccc(CO)c2)CC1
InChIInChI=1S/C12H21N3O/c1-13-4-6-14(7-5-13)8-9-15-3-2-12(10-15)11-16/h2-3,10,16H,4-9,11H2,1H3
InChIKeyBVGHNSJJPHUAGZ-UHFFFAOYSA-N
XLogP0.23
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol (CID 82891582) is [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol is CN1CCN(CCn2ccc(CO)c2)CC1.
What is the InChIKey of [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol?
The InChIKey is BVGHNSJJPHUAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-13-4-6-14(7-5-13)8-9-15-3-2-12(10-15)11-16/h2-3,10,16H,4-9,11H2,1H3.
What are the key properties of [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol?
[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 82891582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).