1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride

C22H30ClNO3 — CID 3039645

IUPAC1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCOc1cccc(-c2ccc(C(O)CCN3CCCCC3)c(OC)c2)c1.Cl
InChIInChI=1S/C22H29NO3.ClH/c1-25-19-8-6-7-17(15-19)18-9-10-20(22(16-18)26-2)21(24)11-14-23-12-4-3-5-13-23;/h6-10,15-16,21,24H,3-5,11-14H2,1-2H3;1H
InChIKeyKBXAIERMHJDJSO-UHFFFAOYSA-N
MW391.94 g/mol
LogP4.70
Rot. Bonds7

About 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride

1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 3039645) has the molecular formula C22H30ClNO3 and a molecular weight of 391.94 g/mol. Its IUPAC name is 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID3039645
Molecular FormulaC22H30ClNO3
Molecular Weight391.94 g/mol
Exact Mass391.19
IUPAC Name1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCOc1cccc(-c2ccc(C(O)CCN3CCCCC3)c(OC)c2)c1.Cl
InChIInChI=1S/C22H29NO3.ClH/c1-25-19-8-6-7-17(15-19)18-9-10-20(22(16-18)26-2)21(24)11-14-23-12-4-3-5-13-23;/h6-10,15-16,21,24H,3-5,11-14H2,1-2H3;1H
InChIKeyKBXAIERMHJDJSO-UHFFFAOYSA-N
XLogP4.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride (CID 3039645) is 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride is COc1cccc(-c2ccc(C(O)CCN3CCCCC3)c(OC)c2)c1.Cl.
What is the InChIKey of 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is KBXAIERMHJDJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3.ClH/c1-25-19-8-6-7-17(15-19)18-9-10-20(22(16-18)26-2)21(24)11-14-23-12-4-3-5-13-23;/h6-10,15-16,21,24H,3-5,11-14H2,1-2H3;1H.
What are the key properties of 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3039645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).