4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride

C13H20ClNO2 — CID 165111881

IUPAC4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCl.[2H]c1c([2H])c([2H])c(OCC2CCNCC2)c(OC)c1[2H]
InChIInChI=1S/C13H19NO2.ClH/c1-15-12-4-2-3-5-13(12)16-10-11-6-8-14-9-7-11;/h2-5,11,14H,6-10H2,1H3;1H/i2D,3D,4D,5D;
InChIKeyUYSCLUXMVPHQKL-QZFMBAIXSA-N
MW261.79 g/mol
LogP2.50
Rot. Bonds4

About 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride

4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride (PubChem CID 165111881) has the molecular formula C13H20ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride
PubChem CID165111881
Molecular FormulaC13H20ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.14
IUPAC Name4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCl.[2H]c1c([2H])c([2H])c(OCC2CCNCC2)c(OC)c1[2H]
InChIInChI=1S/C13H19NO2.ClH/c1-15-12-4-2-3-5-13(12)16-10-11-6-8-14-9-7-11;/h2-5,11,14H,6-10H2,1H3;1H/i2D,3D,4D,5D;
InChIKeyUYSCLUXMVPHQKL-QZFMBAIXSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 154582386
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
4-methoxy-2-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 162422911
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216
4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
CID 53409948
4-[[2,6-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]piperidine
CID 156707447
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 164512463

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride (CID 165111881) is 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride is Cl.[2H]c1c([2H])c([2H])c(OCC2CCNCC2)c(OC)c1[2H].
What is the InChIKey of 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is UYSCLUXMVPHQKL-QZFMBAIXSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-15-12-4-2-3-5-13(12)16-10-11-6-8-14-9-7-11;/h2-5,11,14H,6-10H2,1H3;1H/i2D,3D,4D,5D;.
What are the key properties of 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride?
4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 261.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4,5-tetradeuterio-6-methoxyphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 165111881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).