4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride

C18H29ClN2O — CID 119931163

IUPAC4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCOc1cccc(C2CCN(CC3CCCNC3)CC2)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-21-18-6-2-5-17(12-18)16-7-10-20(11-8-16)14-15-4-3-9-19-13-15;/h2,5-6,12,15-16,19H,3-4,7-11,13-14H2,1H3;1H
InChIKeyWOWZNCGKXYGDSX-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.30
Rot. Bonds4

About 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride

4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (PubChem CID 119931163) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
PubChem CID119931163
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCOc1cccc(C2CCN(CC3CCCNC3)CC2)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-21-18-6-2-5-17(12-18)16-7-10-20(11-8-16)14-15-4-3-9-19-13-15;/h2,5-6,12,15-16,19H,3-4,7-11,13-14H2,1H3;1H
InChIKeyWOWZNCGKXYGDSX-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (CID 119931163) is 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is COc1cccc(C2CCN(CC3CCCNC3)CC2)c1.Cl.
What is the InChIKey of 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The InChIKey is WOWZNCGKXYGDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-21-18-6-2-5-17(12-18)16-7-10-20(11-8-16)14-15-4-3-9-19-13-15;/h2,5-6,12,15-16,19H,3-4,7-11,13-14H2,1H3;1H.
What are the key properties of 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 119931163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).