(2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride

C8H18ClN — CID 70625245

IUPAC(2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride
SMILESCC[C@@H]1CC[C@@H](C)NC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-3-8-5-4-7(2)9-6-8;/h7-9H,3-6H2,1-2H3;1H/t7-,8-;/m1./s1
InChIKeyWKGMMQCONWDNJQ-SCLLHFNJSA-N
MW163.69 g/mol
LogP2.21
Rot. Bonds1

About (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride

(2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride (PubChem CID 70625245) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride
PubChem CID70625245
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name(2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride
SMILESCC[C@@H]1CC[C@@H](C)NC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-3-8-5-4-7(2)9-6-8;/h7-9H,3-6H2,1-2H3;1H/t7-,8-;/m1./s1
InChIKeyWKGMMQCONWDNJQ-SCLLHFNJSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride?
The IUPAC name of (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride (CID 70625245) is (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride.
What is the SMILES notation for (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride?
The canonical SMILES for (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride is CC[C@@H]1CC[C@@H](C)NC1.Cl.
What is the InChIKey of (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride?
The InChIKey is WKGMMQCONWDNJQ-SCLLHFNJSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-3-8-5-4-7(2)9-6-8;/h7-9H,3-6H2,1-2H3;1H/t7-,8-;/m1./s1.
What are the key properties of (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride?
(2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-ethyl-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 70625245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).