(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride

C7H17Cl2NO — CID 142403583

IUPAC(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride
SMILESCC1C(CO)CCN1C.Cl.Cl
InChIInChI=1S/C7H15NO.2ClH/c1-6-7(5-9)3-4-8(6)2;;/h6-7,9H,3-5H2,1-2H3;2*1H
InChIKeyPLHFLBUDGCEQTD-UHFFFAOYSA-N
MW202.12 g/mol
LogP1.16
Rot. Bonds1

About (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride

(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride (PubChem CID 142403583) has the molecular formula C7H17Cl2NO and a molecular weight of 202.12 g/mol. Its IUPAC name is (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride.

Molecular Properties

Compound Name(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride
PubChem CID142403583
Molecular FormulaC7H17Cl2NO
Molecular Weight202.12 g/mol
Exact Mass201.07
IUPAC Name(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride
SMILESCC1C(CO)CCN1C.Cl.Cl
InChIInChI=1S/C7H15NO.2ClH/c1-6-7(5-9)3-4-8(6)2;;/h6-7,9H,3-5H2,1-2H3;2*1H
InChIKeyPLHFLBUDGCEQTD-UHFFFAOYSA-N
XLogP1.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
CID 117021966
4-ethyl-1,2,3-trimethylpiperidine
CID 89228905
[2-methyl-1-(trimethylsilylmethyl)pyrrolidin-3-yl]methanol
CID 131019315
[(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol
CID 59049778
[(3S,4R)-1,3-dimethylpiperidin-4-yl]methanol
CID 59049775
[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
CID 117021954
2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
CID 170368031
[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride
CID 23345232
(2S)-1,2,3-trimethylpyrrolidine
CID 142283455
azane;1,2-dimethylpyrrolidin-3-amine
CID 175027569
[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
CID 117021973
4-(2-methoxyethyl)-1,2,3-trimethylpiperidine
CID 156720081

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride?
The IUPAC name of (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride (CID 142403583) is (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride.
What is the SMILES notation for (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride?
The canonical SMILES for (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride is CC1C(CO)CCN1C.Cl.Cl.
What is the InChIKey of (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride?
The InChIKey is PLHFLBUDGCEQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2ClH/c1-6-7(5-9)3-4-8(6)2;;/h6-7,9H,3-5H2,1-2H3;2*1H.
What are the key properties of (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride?
(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride has a molecular weight of 202.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride is sourced from PubChem (CID 142403583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).