4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol

C11H23N3O2 — CID 126846974

IUPAC4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol
SMILESOCCN(CC1(O)CCNCC1)C1CNC1
InChIInChI=1S/C11H23N3O2/c15-6-5-14(10-7-13-8-10)9-11(16)1-3-12-4-2-11/h10,12-13,15-16H,1-9H2
InChIKeyYZJHXYWIZDHBBZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-1.63
Rot. Bonds5

About 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol

4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol (PubChem CID 126846974) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol
PubChem CID126846974
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol
SMILESOCCN(CC1(O)CCNCC1)C1CNC1
InChIInChI=1S/C11H23N3O2/c15-6-5-14(10-7-13-8-10)9-11(16)1-3-12-4-2-11/h10,12-13,15-16H,1-9H2
InChIKeyYZJHXYWIZDHBBZ-UHFFFAOYSA-N
XLogP-1.63
TPSA67.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-hydroxyethyl(pyrrolidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 126846014
4-[[azetidin-3-yl(methyl)amino]methyl]piperidin-4-ol
CID 126846975
4-[[ethyl(2-hydroxyethyl)amino]methyl]piperidin-4-ol
CID 126846900
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol
CID 126846044
2-[azetidin-3-yl(butyl)amino]ethanol
CID 79467930
4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-4-ol
CID 55048858
2-[2-hydroxyethyl(piperidin-3-yl)amino]ethanol
CID 79468041
4-[(dipropylamino)methyl]piperidin-4-ol
CID 62221851
2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
N-cyclopropyl-N-(2-hydroxyethyl)-4-methylpiperidine-4-carboxamide
CID 63121935
4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]piperidin-4-ol
CID 62546239
3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108

Frequently Asked Questions

What is the IUPAC name of 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol (CID 126846974) is 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol is OCCN(CC1(O)CCNCC1)C1CNC1.
What is the InChIKey of 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol?
The InChIKey is YZJHXYWIZDHBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c15-6-5-14(10-7-13-8-10)9-11(16)1-3-12-4-2-11/h10,12-13,15-16H,1-9H2.
What are the key properties of 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol?
4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol has a molecular weight of 229.32 g/mol, XLogP of -1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 126846974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).