1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol

C22H36N2O2 — CID 46965801

IUPAC1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccccc1C1(O)CCN(CC(C)(C)CN2CCCCC2)CC1
InChIInChI=1S/C22H36N2O2/c1-21(2,17-23-13-7-4-8-14-23)18-24-15-11-22(25,12-16-24)19-9-5-6-10-20(19)26-3/h5-6,9-10,25H,4,7-8,11-18H2,1-3H3
InChIKeyMJURQFPKWSBXKZ-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.49
Rot. Bonds6

About 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol

1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol (PubChem CID 46965801) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol
PubChem CID46965801
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccccc1C1(O)CCN(CC(C)(C)CN2CCCCC2)CC1
InChIInChI=1S/C22H36N2O2/c1-21(2,17-23-13-7-4-8-14-23)18-24-15-11-22(25,12-16-24)19-9-5-6-10-20(19)26-3/h5-6,9-10,25H,4,7-8,11-18H2,1-3H3
InChIKeyMJURQFPKWSBXKZ-UHFFFAOYSA-N
XLogP3.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 46966006
4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol
CID 46966233
2-hydroxypropane-1,2,3-tricarboxylic acid;4-(2-methoxyphenyl)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-4-ol
CID 171670521
1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride
CID 18782760
4-(2-ethoxyphenyl)-1-propylazepan-4-ol
CID 65077808
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46966161
5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46965878
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
1-ethyl-4-(2-propoxyphenyl)piperidin-4-ol
CID 104658514
1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 3228815
3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide
CID 16676890

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol (CID 46965801) is 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol is COc1ccccc1C1(O)CCN(CC(C)(C)CN2CCCCC2)CC1.
What is the InChIKey of 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol?
The InChIKey is MJURQFPKWSBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-21(2,17-23-13-7-4-8-14-23)18-24-15-11-22(25,12-16-24)19-9-5-6-10-20(19)26-3/h5-6,9-10,25H,4,7-8,11-18H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol?
1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol has a molecular weight of 360.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 46965801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).