4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine

C11H23N3O — CID 134321958

IUPAC4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
SMILESCN1CCC[C@H]1COC1CCNCC1N
InChIInChI=1S/C11H23N3O/c1-14-6-2-3-9(14)8-15-11-4-5-13-7-10(11)12/h9-11,13H,2-8,12H2,1H3/t9-,10?,11?/m0/s1
InChIKeyKKQDFBBUYUTRDW-WHXUTIOJSA-N
MW213.32 g/mol
LogP-0.21
Rot. Bonds3

About 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine

4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine (PubChem CID 134321958) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine.

Molecular Properties

Compound Name4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
PubChem CID134321958
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
SMILESCN1CCC[C@H]1COC1CCNCC1N
InChIInChI=1S/C11H23N3O/c1-14-6-2-3-9(14)8-15-11-4-5-13-7-10(11)12/h9-11,13H,2-8,12H2,1H3/t9-,10?,11?/m0/s1
InChIKeyKKQDFBBUYUTRDW-WHXUTIOJSA-N
XLogP-0.21
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The IUPAC name of 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine (CID 134321958) is 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine.
What is the SMILES notation for 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The canonical SMILES for 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine is CN1CCC[C@H]1COC1CCNCC1N.
What is the InChIKey of 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The InChIKey is KKQDFBBUYUTRDW-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H23N3O/c1-14-6-2-3-9(14)8-15-11-4-5-13-7-10(11)12/h9-11,13H,2-8,12H2,1H3/t9-,10?,11?/m0/s1.
What are the key properties of 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine has a molecular weight of 213.32 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine is sourced from PubChem (CID 134321958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).