2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol

C18H29NO3 — CID 69469256

IUPAC2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol
SMILESCCCC(OC)C(O)(c1cccc(OC)c1)C1CCCNC1
InChIInChI=1S/C18H29NO3/c1-4-7-17(22-3)18(20,15-9-6-11-19-13-15)14-8-5-10-16(12-14)21-2/h5,8,10,12,15,17,19-20H,4,6-7,9,11,13H2,1-3H3
InChIKeyGFXMBOKPVHOBTC-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.70
Rot. Bonds7

About 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol

2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol (PubChem CID 69469256) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol
PubChem CID69469256
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol
SMILESCCCC(OC)C(O)(c1cccc(OC)c1)C1CCCNC1
InChIInChI=1S/C18H29NO3/c1-4-7-17(22-3)18(20,15-9-6-11-19-13-15)14-8-5-10-16(12-14)21-2/h5,8,10,12,15,17,19-20H,4,6-7,9,11,13H2,1-3H3
InChIKeyGFXMBOKPVHOBTC-UHFFFAOYSA-N
XLogP2.70
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol?
The IUPAC name of 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol (CID 69469256) is 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol.
What is the SMILES notation for 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol?
The canonical SMILES for 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol is CCCC(OC)C(O)(c1cccc(OC)c1)C1CCCNC1.
What is the InChIKey of 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol?
The InChIKey is GFXMBOKPVHOBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-7-17(22-3)18(20,15-9-6-11-19-13-15)14-8-5-10-16(12-14)21-2/h5,8,10,12,15,17,19-20H,4,6-7,9,11,13H2,1-3H3.
What are the key properties of 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol?
2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methoxyphenyl)-1-piperidin-3-ylpentan-1-ol is sourced from PubChem (CID 69469256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).