4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride

C14H21Cl2NO — CID 73353582

IUPAC4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
SMILESCOCC(c1cccc(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-17-10-14(11-5-7-16-8-6-11)12-3-2-4-13(15)9-12;/h2-4,9,11,14,16H,5-8,10H2,1H3;1H
InChIKeyHJKCBQAEYYPLHW-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.49
Rot. Bonds4

About 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride

4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride (PubChem CID 73353582) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
PubChem CID73353582
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
SMILESCOCC(c1cccc(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-17-10-14(11-5-7-16-8-6-11)12-3-2-4-13(15)9-12;/h2-4,9,11,14,16H,5-8,10H2,1H3;1H
InChIKeyHJKCBQAEYYPLHW-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride (CID 73353582) is 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride is COCC(c1cccc(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The InChIKey is HJKCBQAEYYPLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-17-10-14(11-5-7-16-8-6-11)12-3-2-4-13(15)9-12;/h2-4,9,11,14,16H,5-8,10H2,1H3;1H.
What are the key properties of 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 73353582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).