(2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride

C14H21Cl2NO — CID 166635976

IUPAC(2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride
SMILESC[C@@H]1CCCCN1CCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-12-4-2-3-9-16(12)10-11-17-14-7-5-13(15)6-8-14;/h5-8,12H,2-4,9-11H2,1H3;1H/t12-;/m1./s1
InChIKeySWLJRBBGRFBCSP-UTONKHPSSA-N
MW290.23 g/mol
LogP4.01
Rot. Bonds4

About (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride

(2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride (PubChem CID 166635976) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride
PubChem CID166635976
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name(2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride
SMILESC[C@@H]1CCCCN1CCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-12-4-2-3-9-16(12)10-11-17-14-7-5-13(15)6-8-14;/h5-8,12H,2-4,9-11H2,1H3;1H/t12-;/m1./s1
InChIKeySWLJRBBGRFBCSP-UTONKHPSSA-N
XLogP4.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride?
The IUPAC name of (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride (CID 166635976) is (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride.
What is the SMILES notation for (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride?
The canonical SMILES for (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride is C[C@@H]1CCCCN1CCOc1ccc(Cl)cc1.Cl.
What is the InChIKey of (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride?
The InChIKey is SWLJRBBGRFBCSP-UTONKHPSSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-12-4-2-3-9-16(12)10-11-17-14-7-5-13(15)6-8-14;/h5-8,12H,2-4,9-11H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride?
(2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-chlorophenoxy)ethyl]-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 166635976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).