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

C10H22N4 — CID 82891814

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine
SMILESCN1CCN(CCN2CC(N)C2)CC1
InChIInChI=1S/C10H22N4/c1-12-2-4-13(5-3-12)6-7-14-8-10(11)9-14/h10H,2-9,11H2,1H3
InChIKeyQZJWVDLCMNYEHE-UHFFFAOYSA-N
MW198.31 g/mol
LogP-1.12
Rot. Bonds3

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

1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine (PubChem CID 82891814) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine
PubChem CID82891814
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine
SMILESCN1CCN(CCN2CC(N)C2)CC1
InChIInChI=1S/C10H22N4/c1-12-2-4-13(5-3-12)6-7-14-8-10(11)9-14/h10H,2-9,11H2,1H3
InChIKeyQZJWVDLCMNYEHE-UHFFFAOYSA-N
XLogP-1.12
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 5-1.12
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-amine?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine (CID 82891814) is 1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine is CN1CCN(CCN2CC(N)C2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine?
The InChIKey is QZJWVDLCMNYEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-12-2-4-13(5-3-12)6-7-14-8-10(11)9-14/h10H,2-9,11H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine?
1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of -1.12, 3 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-amine is sourced from PubChem (CID 82891814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).