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

C11H23N3O — CID 82892499

IUPAC[1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol
SMILESCN1CCN(CCN2CC(CO)C2)CC1
InChIInChI=1S/C11H23N3O/c1-12-2-4-13(5-3-12)6-7-14-8-11(9-14)10-15/h11,15H,2-10H2,1H3
InChIKeyPUBBFJWTCYNNCO-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.84
Rot. Bonds4

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

[1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol (PubChem CID 82892499) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is [1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol
PubChem CID82892499
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name[1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol
SMILESCN1CCN(CCN2CC(CO)C2)CC1
InChIInChI=1S/C11H23N3O/c1-12-2-4-13(5-3-12)6-7-14-8-11(9-14)10-15/h11,15H,2-10H2,1H3
InChIKeyPUBBFJWTCYNNCO-UHFFFAOYSA-N
XLogP-0.84
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.84
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]azetidin-3-yl]methanol?
The IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol (CID 82892499) is [1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol?
The canonical SMILES for [1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol is CN1CCN(CCN2CC(CO)C2)CC1.
What is the InChIKey of [1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol?
The InChIKey is PUBBFJWTCYNNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-12-2-4-13(5-3-12)6-7-14-8-11(9-14)10-15/h11,15H,2-10H2,1H3.
What are the key properties of [1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol?
[1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of -0.84, 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]azetidin-3-yl]methanol is sourced from PubChem (CID 82892499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).