(3S)-3-methylpiperidin-1-ium

C6H14N+ — CID 6994394

IUPAC(3S)-3-methylpiperidin-1-ium
SMILESC[C@H]1CCC[NH2+]C1
InChIInChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/p+1/t6-/m0/s1
InChIKeyJEGMWWXJUXDNJN-LURJTMIESA-O
MW100.19 g/mol
LogP-0.02
Rot. Bonds

About (3S)-3-methylpiperidin-1-ium

(3S)-3-methylpiperidin-1-ium (PubChem CID 6994394) has the molecular formula C6H14N+ and a molecular weight of 100.19 g/mol. Its IUPAC name is (3S)-3-methylpiperidin-1-ium.

Molecular Properties

Compound Name(3S)-3-methylpiperidin-1-ium
PubChem CID6994394
Molecular FormulaC6H14N+
Molecular Weight100.19 g/mol
Exact Mass100.11
IUPAC Name(3S)-3-methylpiperidin-1-ium
SMILESC[C@H]1CCC[NH2+]C1
InChIInChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/p+1/t6-/m0/s1
InChIKeyJEGMWWXJUXDNJN-LURJTMIESA-O
XLogP-0.02
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpiperidin-1-ium?
The IUPAC name of (3S)-3-methylpiperidin-1-ium (CID 6994394) is (3S)-3-methylpiperidin-1-ium.
What is the SMILES notation for (3S)-3-methylpiperidin-1-ium?
The canonical SMILES for (3S)-3-methylpiperidin-1-ium is C[C@H]1CCC[NH2+]C1.
What is the InChIKey of (3S)-3-methylpiperidin-1-ium?
The InChIKey is JEGMWWXJUXDNJN-LURJTMIESA-O. The full InChI is InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/p+1/t6-/m0/s1.
What are the key properties of (3S)-3-methylpiperidin-1-ium?
(3S)-3-methylpiperidin-1-ium has a molecular weight of 100.19 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpiperidin-1-ium is sourced from PubChem (CID 6994394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).