3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine

C11H18N2 — CID 167252662

IUPAC3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine
SMILESCC1([C@@H]2CCCCN2)C=NC=CC1
InChIInChI=1S/C11H18N2/c1-11(6-4-7-12-9-11)10-5-2-3-8-13-10/h4,7,9-10,13H,2-3,5-6,8H2,1H3/t10-,11?/m0/s1
InChIKeyQPNLSULPFQWQFM-VUWPPUDQSA-N
MW178.28 g/mol
LogP2.12
Rot. Bonds1

About 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine

3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine (PubChem CID 167252662) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine.

Molecular Properties

Compound Name3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine
PubChem CID167252662
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine
SMILESCC1([C@@H]2CCCCN2)C=NC=CC1
InChIInChI=1S/C11H18N2/c1-11(6-4-7-12-9-11)10-5-2-3-8-13-10/h4,7,9-10,13H,2-3,5-6,8H2,1H3/t10-,11?/m0/s1
InChIKeyQPNLSULPFQWQFM-VUWPPUDQSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine?
The IUPAC name of 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine (CID 167252662) is 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine.
What is the SMILES notation for 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine?
The canonical SMILES for 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine is CC1([C@@H]2CCCCN2)C=NC=CC1.
What is the InChIKey of 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine?
The InChIKey is QPNLSULPFQWQFM-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(6-4-7-12-9-11)10-5-2-3-8-13-10/h4,7,9-10,13H,2-3,5-6,8H2,1H3/t10-,11?/m0/s1.
What are the key properties of 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine?
3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2S)-piperidin-2-yl]-4H-pyridine is sourced from PubChem (CID 167252662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).