(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine

C10H20N2 — CID 67315323

IUPAC(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
SMILESC[C@@H]1CNCC[C@@H]1N1CCCC1
InChIInChI=1S/C10H20N2/c1-9-8-11-5-4-10(9)12-6-2-3-7-12/h9-11H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyLYEIRPAJLQVCSL-ZJUUUORDSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds1

About (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine

(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 67315323) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
PubChem CID67315323
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
SMILESC[C@@H]1CNCC[C@@H]1N1CCCC1
InChIInChI=1S/C10H20N2/c1-9-8-11-5-4-10(9)12-6-2-3-7-12/h9-11H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyLYEIRPAJLQVCSL-ZJUUUORDSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine (CID 67315323) is (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine is C[C@@H]1CNCC[C@@H]1N1CCCC1.
What is the InChIKey of (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is LYEIRPAJLQVCSL-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20N2/c1-9-8-11-5-4-10(9)12-6-2-3-7-12/h9-11H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine?
(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 168.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 67315323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).