4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol

C11H25N3O — CID 64797345

IUPAC4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
SMILESCCN1CCN(CCC(CO)NC)CC1
InChIInChI=1S/C11H25N3O/c1-3-13-6-8-14(9-7-13)5-4-11(10-15)12-2/h11-12,15H,3-10H2,1-2H3
InChIKeyYHURPJUWTNBAOZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.41
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol

4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol (PubChem CID 64797345) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
PubChem CID64797345
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
SMILESCCN1CCN(CCC(CO)NC)CC1
InChIInChI=1S/C11H25N3O/c1-3-13-6-8-14(9-7-13)5-4-11(10-15)12-2/h11-12,15H,3-10H2,1-2H3
InChIKeyYHURPJUWTNBAOZ-UHFFFAOYSA-N
XLogP-0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol
CID 64797716
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol
CID 64810854
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
CID 64791699
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64827038
4-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(methylamino)butan-1-ol
CID 64792477
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol
CID 64788204

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol (CID 64797345) is 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol is CCN1CCN(CCC(CO)NC)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol?
The InChIKey is YHURPJUWTNBAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-3-13-6-8-14(9-7-13)5-4-11(10-15)12-2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol?
4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64797345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).