(4S)-4-methyl-1,2,3,4-tetrahydropyridine

C6H11N — CID 154558229

IUPAC(4S)-4-methyl-1,2,3,4-tetrahydropyridine
SMILESC[C@@H]1C=CNCC1
InChIInChI=1S/C6H11N/c1-6-2-4-7-5-3-6/h2,4,6-7H,3,5H2,1H3/t6-/m1/s1
InChIKeyGKYXOGKHMZZSSR-ZCFIWIBFSA-N
MW97.16 g/mol
LogP1.13
Rot. Bonds

About (4S)-4-methyl-1,2,3,4-tetrahydropyridine

(4S)-4-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 154558229) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (4S)-4-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name(4S)-4-methyl-1,2,3,4-tetrahydropyridine
PubChem CID154558229
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(4S)-4-methyl-1,2,3,4-tetrahydropyridine
SMILESC[C@@H]1C=CNCC1
InChIInChI=1S/C6H11N/c1-6-2-4-7-5-3-6/h2,4,6-7H,3,5H2,1H3/t6-/m1/s1
InChIKeyGKYXOGKHMZZSSR-ZCFIWIBFSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of (4S)-4-methyl-1,2,3,4-tetrahydropyridine (CID 154558229) is (4S)-4-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for (4S)-4-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for (4S)-4-methyl-1,2,3,4-tetrahydropyridine is C[C@@H]1C=CNCC1.
What is the InChIKey of (4S)-4-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is GKYXOGKHMZZSSR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11N/c1-6-2-4-7-5-3-6/h2,4,6-7H,3,5H2,1H3/t6-/m1/s1.
What are the key properties of (4S)-4-methyl-1,2,3,4-tetrahydropyridine?
(4S)-4-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 97.16 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 154558229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).