1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine

C11H23N3O — CID 129134591

IUPAC1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine
SMILESCN1CCC(O[C@@H]2CCN(C)C2)C(N)C1
InChIInChI=1S/C11H23N3O/c1-13-5-3-9(7-13)15-11-4-6-14(2)8-10(11)12/h9-11H,3-8,12H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeySAJWFZDHTWROHX-KPPDAEKUSA-N
MW213.32 g/mol
LogP-0.26
Rot. Bonds2

About 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine

1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine (PubChem CID 129134591) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine.

Molecular Properties

Compound Name1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine
PubChem CID129134591
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine
SMILESCN1CCC(O[C@@H]2CCN(C)C2)C(N)C1
InChIInChI=1S/C11H23N3O/c1-13-5-3-9(7-13)15-11-4-6-14(2)8-10(11)12/h9-11H,3-8,12H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeySAJWFZDHTWROHX-KPPDAEKUSA-N
XLogP-0.26
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine?
The IUPAC name of 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine (CID 129134591) is 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine.
What is the SMILES notation for 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine?
The canonical SMILES for 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine is CN1CCC(O[C@@H]2CCN(C)C2)C(N)C1.
What is the InChIKey of 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine?
The InChIKey is SAJWFZDHTWROHX-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13-5-3-9(7-13)15-11-4-6-14(2)8-10(11)12/h9-11H,3-8,12H2,1-2H3/t9-,10?,11?/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine?
1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine has a molecular weight of 213.32 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine is sourced from PubChem (CID 129134591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).