(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride

C6H16Cl2N2O — CID 112756828

IUPAC(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
SMILESCN(C)[C@H]1CNC[C@H]1O.Cl.Cl
InChIInChI=1S/C6H14N2O.2ClH/c1-8(2)5-3-7-4-6(5)9;;/h5-7,9H,3-4H2,1-2H3;2*1H/t5-,6+;;/m0../s1
InChIKeyDZLFLRAVIZGQMT-KXSOTYCDSA-N
MW203.11 g/mol
LogP-0.28
Rot. Bonds1

About (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride

(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride (PubChem CID 112756828) has the molecular formula C6H16Cl2N2O and a molecular weight of 203.11 g/mol. Its IUPAC name is (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
PubChem CID112756828
Molecular FormulaC6H16Cl2N2O
Molecular Weight203.11 g/mol
Exact Mass202.06
IUPAC Name(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
SMILESCN(C)[C@H]1CNC[C@H]1O.Cl.Cl
InChIInChI=1S/C6H14N2O.2ClH/c1-8(2)5-3-7-4-6(5)9;;/h5-7,9H,3-4H2,1-2H3;2*1H/t5-,6+;;/m0../s1
InChIKeyDZLFLRAVIZGQMT-KXSOTYCDSA-N
XLogP-0.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride (CID 112756828) is (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride is CN(C)[C@H]1CNC[C@H]1O.Cl.Cl.
What is the InChIKey of (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride?
The InChIKey is DZLFLRAVIZGQMT-KXSOTYCDSA-N. The full InChI is InChI=1S/C6H14N2O.2ClH/c1-8(2)5-3-7-4-6(5)9;;/h5-7,9H,3-4H2,1-2H3;2*1H/t5-,6+;;/m0../s1.
What are the key properties of (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride?
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride has a molecular weight of 203.11 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 112756828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).