4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride

C17H33ClN2O — CID 54610052

IUPAC4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride
SMILESC1CCC2(CC1)CCN(CCCN1CCOCC1)CC2.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-2-5-17(6-3-1)7-11-18(12-8-17)9-4-10-19-13-15-20-16-14-19;/h1-16H2;1H
InChIKeyJHMCQEUZUCDYHX-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.18
Rot. Bonds4

About 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride

4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride (PubChem CID 54610052) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride
PubChem CID54610052
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride
SMILESC1CCC2(CC1)CCN(CCCN1CCOCC1)CC2.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-2-5-17(6-3-1)7-11-18(12-8-17)9-4-10-19-13-15-20-16-14-19;/h1-16H2;1H
InChIKeyJHMCQEUZUCDYHX-UHFFFAOYSA-N
XLogP3.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride (CID 54610052) is 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride is C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2.Cl.
What is the InChIKey of 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride?
The InChIKey is JHMCQEUZUCDYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-2-5-17(6-3-1)7-11-18(12-8-17)9-4-10-19-13-15-20-16-14-19;/h1-16H2;1H.
What are the key properties of 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride?
4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride is sourced from PubChem (CID 54610052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).