(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride

C10H21ClN2O2 — CID 130652560

IUPAC(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride
SMILESCC1COCC(C)N1[C@@H]1CNC[C@H]1O.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-7-5-14-6-8(2)12(7)9-3-11-4-10(9)13;/h7-11,13H,3-6H2,1-2H3;1H/t7?,8?,9-,10-;/m1./s1
InChIKeyUCZXNHVTUZCWDX-FJEDJHNJSA-N
MW236.74 g/mol
LogP-0.15
Rot. Bonds1

About (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride

(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride (PubChem CID 130652560) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride
PubChem CID130652560
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride
SMILESCC1COCC(C)N1[C@@H]1CNC[C@H]1O.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-7-5-14-6-8(2)12(7)9-3-11-4-10(9)13;/h7-11,13H,3-6H2,1-2H3;1H/t7?,8?,9-,10-;/m1./s1
InChIKeyUCZXNHVTUZCWDX-FJEDJHNJSA-N
XLogP-0.15
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride
CID 130610051
(3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol
CID 122236717
(3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol
CID 122237207
(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol
CID 122237052
4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703405
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
(3R,4S,5R,6R)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950388
(3R,4S,5R,6S)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950390
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
(3R,4R)-4-(2-ethyl-4-methylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride
CID 130978892
4-chloro-3,5-dimethylmorpholine
CID 14340350
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
CID 163257227

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride (CID 130652560) is (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride is CC1COCC(C)N1[C@@H]1CNC[C@H]1O.Cl.
What is the InChIKey of (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is UCZXNHVTUZCWDX-FJEDJHNJSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-7-5-14-6-8(2)12(7)9-3-11-4-10(9)13;/h7-11,13H,3-6H2,1-2H3;1H/t7?,8?,9-,10-;/m1./s1.
What are the key properties of (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride?
(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 130652560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).