(3S,5R)-3,5-dimethylpiperidine

C7H15N — CID 641101

IUPAC(3S,5R)-3,5-dimethylpiperidine
SMILESC[C@@H]1CNC[C@H](C)C1
InChIInChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3/t6-,7+
InChIKeyIDWRJRPUIXRFRX-KNVOCYPGSA-N
MW113.20 g/mol
LogP1.25
Rot. Bonds

About (3S,5R)-3,5-dimethylpiperidine

(3S,5R)-3,5-dimethylpiperidine (PubChem CID 641101) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethylpiperidine
PubChem CID641101
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(3S,5R)-3,5-dimethylpiperidine
SMILESC[C@@H]1CNC[C@H](C)C1
InChIInChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3/t6-,7+
InChIKeyIDWRJRPUIXRFRX-KNVOCYPGSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethylpiperidine?
The IUPAC name of (3S,5R)-3,5-dimethylpiperidine (CID 641101) is (3S,5R)-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5R)-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5R)-3,5-dimethylpiperidine is C[C@@H]1CNC[C@H](C)C1.
What is the InChIKey of (3S,5R)-3,5-dimethylpiperidine?
The InChIKey is IDWRJRPUIXRFRX-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3/t6-,7+.
What are the key properties of (3S,5R)-3,5-dimethylpiperidine?
(3S,5R)-3,5-dimethylpiperidine has a molecular weight of 113.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethylpiperidine is sourced from PubChem (CID 641101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).