1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine

C10H20N2 — CID 129321005

IUPAC1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine
SMILESC[C@H]1NCC[C@@H]1N1CCCCC1
InChIInChI=1S/C10H20N2/c1-9-10(5-6-11-9)12-7-3-2-4-8-12/h9-11H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyDUBHFSUJTMTSKL-ZJUUUORDSA-N
MW168.28 g/mol
LogP1.22
Rot. Bonds1

About 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine

1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine (PubChem CID 129321005) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine
PubChem CID129321005
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine
SMILESC[C@H]1NCC[C@@H]1N1CCCCC1
InChIInChI=1S/C10H20N2/c1-9-10(5-6-11-9)12-7-3-2-4-8-12/h9-11H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyDUBHFSUJTMTSKL-ZJUUUORDSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
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4-(2-methylpyrrolidin-3-yl)morpholine
CID 71669026
4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine
CID 99868084
3-methyl-4-piperidin-1-ylpiperidine
CID 18457680
(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 118101021
(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
CID 67315323
2,2-dimethyl-4-(2-methylpyrrolidin-3-yl)morpholine
CID 130546000
(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
CID 67315320
1-[(2-methylpyrrolidin-3-yl)methyl]-4-piperidin-1-ylpiperidine
CID 79384542
1-[(2-methylpyrrolidin-3-yl)methyl]azocane
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1-[(2R)-2-methylcyclopentyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine (CID 129321005) is 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine is C[C@H]1NCC[C@@H]1N1CCCCC1.
What is the InChIKey of 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine?
The InChIKey is DUBHFSUJTMTSKL-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20N2/c1-9-10(5-6-11-9)12-7-3-2-4-8-12/h9-11H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine?
1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine has a molecular weight of 168.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine is sourced from PubChem (CID 129321005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).