4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol

C10H23N3O2 — CID 175259553

IUPAC4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol
SMILESNC(CCCO)N1CCN(CCO)CC1
InChIInChI=1S/C10H23N3O2/c11-10(2-1-8-14)13-5-3-12(4-6-13)7-9-15/h10,14-15H,1-9,11H2
InChIKeyKRMMSIRTOQIOEY-UHFFFAOYSA-N
MW217.31 g/mol
LogP-1.35
Rot. Bonds6

About 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol

4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol (PubChem CID 175259553) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol
PubChem CID175259553
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol
SMILESNC(CCCO)N1CCN(CCO)CC1
InChIInChI=1S/C10H23N3O2/c11-10(2-1-8-14)13-5-3-12(4-6-13)7-9-15/h10,14-15H,1-9,11H2
InChIKeyKRMMSIRTOQIOEY-UHFFFAOYSA-N
XLogP-1.35
TPSA72.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol (CID 175259553) is 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol is NC(CCCO)N1CCN(CCO)CC1.
What is the InChIKey of 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is KRMMSIRTOQIOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c11-10(2-1-8-14)13-5-3-12(4-6-13)7-9-15/h10,14-15H,1-9,11H2.
What are the key properties of 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol?
4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol has a molecular weight of 217.31 g/mol, XLogP of -1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 175259553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).