4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride

C19H24ClNO2 — CID 164512463

IUPAC4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCl.c1ccc(COc2ccccc2OCC2CCNCC2)cc1
InChIInChI=1S/C19H23NO2.ClH/c1-2-6-16(7-3-1)14-21-18-8-4-5-9-19(18)22-15-17-10-12-20-13-11-17;/h1-9,17,20H,10-15H2;1H
InChIKeyYQWZRJUERLMKBK-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.07
Rot. Bonds6

About 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride

4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride (PubChem CID 164512463) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
PubChem CID164512463
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCl.c1ccc(COc2ccccc2OCC2CCNCC2)cc1
InChIInChI=1S/C19H23NO2.ClH/c1-2-6-16(7-3-1)14-21-18-8-4-5-9-19(18)22-15-17-10-12-20-13-11-17;/h1-9,17,20H,10-15H2;1H
InChIKeyYQWZRJUERLMKBK-UHFFFAOYSA-N
XLogP4.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 164512457
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4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
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2-phenylmethoxy-6-(piperidin-4-ylmethyl)phenol
CID 117479063
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
CID 67186434
CID 67186434
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155048
2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
CID 170886397
N-phenylmethoxy-1-piperidin-4-ylmethanamine
CID 82709378

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride (CID 164512463) is 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride is Cl.c1ccc(COc2ccccc2OCC2CCNCC2)cc1.
What is the InChIKey of 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is YQWZRJUERLMKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-2-6-16(7-3-1)14-21-18-8-4-5-9-19(18)22-15-17-10-12-20-13-11-17;/h1-9,17,20H,10-15H2;1H.
What are the key properties of 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride?
4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 164512463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).