4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride

C17H21Cl2NO — CID 56830392

IUPAC4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(OCCC2CCNCC2)c2ccccc12
InChIInChI=1S/C17H20ClNO.ClH/c18-16-5-6-17(15-4-2-1-3-14(15)16)20-12-9-13-7-10-19-11-8-13;/h1-6,13,19H,7-12H2;1H
InChIKeyRASVFLDCSQNXQX-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.68
Rot. Bonds4

About 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride

4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride (PubChem CID 56830392) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
PubChem CID56830392
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC Name4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(OCCC2CCNCC2)c2ccccc12
InChIInChI=1S/C17H20ClNO.ClH/c18-16-5-6-17(15-4-2-1-3-14(15)16)20-12-9-13-7-10-19-11-8-13;/h1-6,13,19H,7-12H2;1H
InChIKeyRASVFLDCSQNXQX-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393
4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 53410049
4-(2-naphthalen-1-yloxyethyl)piperidine;hydrochloride
CID 75539369
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
CID 56830089
4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
CID 56830481
4-(4-chloronaphthalen-1-yl)oxyazepane
CID 63904845
4-[2-(2-propylphenoxy)ethyl]piperidine
CID 56830188
4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
CID 106201503
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride (CID 56830392) is 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride is Cl.Clc1ccc(OCCC2CCNCC2)c2ccccc12.
What is the InChIKey of 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride?
The InChIKey is RASVFLDCSQNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO.ClH/c18-16-5-6-17(15-4-2-1-3-14(15)16)20-12-9-13-7-10-19-11-8-13;/h1-6,13,19H,7-12H2;1H.
What are the key properties of 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride?
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride has a molecular weight of 326.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).