3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride

C11H23ClN2O2 — CID 175697188

IUPAC3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride
SMILESCC(NC1CCC(O)CC1)C1(O)CNC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8(11(15)6-12-7-11)13-9-2-4-10(14)5-3-9;/h8-10,12-15H,2-7H2,1H3;1H
InChIKeyZUUJJVJITWXNAD-UHFFFAOYSA-N
MW250.77 g/mol
LogP0.02
Rot. Bonds3

About 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride

3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride (PubChem CID 175697188) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride
PubChem CID175697188
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride
SMILESCC(NC1CCC(O)CC1)C1(O)CNC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8(11(15)6-12-7-11)13-9-2-4-10(14)5-3-9;/h8-10,12-15H,2-7H2,1H3;1H
InChIKeyZUUJJVJITWXNAD-UHFFFAOYSA-N
XLogP0.02
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride?
The IUPAC name of 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride (CID 175697188) is 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride.
What is the SMILES notation for 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride?
The canonical SMILES for 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride is CC(NC1CCC(O)CC1)C1(O)CNC1.Cl.
What is the InChIKey of 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride?
The InChIKey is ZUUJJVJITWXNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-8(11(15)6-12-7-11)13-9-2-4-10(14)5-3-9;/h8-10,12-15H,2-7H2,1H3;1H.
What are the key properties of 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride?
3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-hydroxycyclohexyl)amino]ethyl]azetidin-3-ol;hydrochloride is sourced from PubChem (CID 175697188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).