1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol

C22H27NO2 — CID 173184995

IUPAC1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol
SMILESCOc1cccc(-c2ccc(C3(CN4CCC(O)CC4)CC3)cc2)c1
InChIInChI=1S/C22H27NO2/c1-25-21-4-2-3-18(15-21)17-5-7-19(8-6-17)22(11-12-22)16-23-13-9-20(24)10-14-23/h2-8,15,20,24H,9-14,16H2,1H3
InChIKeyQVAOSRAZLFFBQH-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.85
Rot. Bonds5

About 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol

1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol (PubChem CID 173184995) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol
PubChem CID173184995
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol
SMILESCOc1cccc(-c2ccc(C3(CN4CCC(O)CC4)CC3)cc2)c1
InChIInChI=1S/C22H27NO2/c1-25-21-4-2-3-18(15-21)17-5-7-19(8-6-17)22(11-12-22)16-23-13-9-20(24)10-14-23/h2-8,15,20,24H,9-14,16H2,1H3
InChIKeyQVAOSRAZLFFBQH-UHFFFAOYSA-N
XLogP3.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol (CID 173184995) is 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol is COc1cccc(-c2ccc(C3(CN4CCC(O)CC4)CC3)cc2)c1.
What is the InChIKey of 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol?
The InChIKey is QVAOSRAZLFFBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-25-21-4-2-3-18(15-21)17-5-7-19(8-6-17)22(11-12-22)16-23-13-9-20(24)10-14-23/h2-8,15,20,24H,9-14,16H2,1H3.
What are the key properties of 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol?
1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol has a molecular weight of 337.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(3-methoxyphenyl)phenyl]cyclopropyl]methyl]piperidin-4-ol is sourced from PubChem (CID 173184995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).