1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride

C13H22Cl2N2O — CID 19382170

IUPAC1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCNCC1(O)CCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-14-10-13(16)7-8-15(11-13)9-12-5-3-2-4-6-12;;/h2-6,14,16H,7-11H2,1H3;2*1H
InChIKeyNMBTUBATFNEHKM-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.69
Rot. Bonds4

About 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride

1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride (PubChem CID 19382170) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
PubChem CID19382170
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCNCC1(O)CCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-14-10-13(16)7-8-15(11-13)9-12-5-3-2-4-6-12;;/h2-6,14,16H,7-11H2,1H3;2*1H
InChIKeyNMBTUBATFNEHKM-UHFFFAOYSA-N
XLogP1.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methylamino]methyl]benzoic acid
CID 122031602
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-4-methylpiperidin-4-ol
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1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
CID 39355997
(3S)-3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1-methylpyrrolidin-3-ol
CID 99777650
1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]urea
CID 166220159
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride (CID 19382170) is 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride is CNCC1(O)CCN(Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride?
The InChIKey is NMBTUBATFNEHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-14-10-13(16)7-8-15(11-13)9-12-5-3-2-4-6-12;;/h2-6,14,16H,7-11H2,1H3;2*1H.
What are the key properties of 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride?
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 19382170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).