4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline

C22H29ClN2O — CID 158541469

IUPAC4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCC(O)(c2ccc(Cl)cc2)CC1.CN1CCc2ccccc2C1
InChIInChI=1S/C12H16ClNO.C10H13N/c1-14-8-6-12(15,7-9-14)10-2-4-11(13)5-3-10;1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,15H,6-9H2,1H3;2-5H,6-8H2,1H3
InChIKeyHOOMPVDGLAXGFK-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.93
Rot. Bonds1

About 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline

4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 158541469) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID158541469
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCC(O)(c2ccc(Cl)cc2)CC1.CN1CCc2ccccc2C1
InChIInChI=1S/C12H16ClNO.C10H13N/c1-14-8-6-12(15,7-9-14)10-2-4-11(13)5-3-10;1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,15H,6-9H2,1H3;2-5H,6-8H2,1H3
InChIKeyHOOMPVDGLAXGFK-UHFFFAOYSA-N
XLogP3.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
2-(4-chlorophenyl)-1,3-dihydroinden-2-ol
CID 60864070
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 157487706
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
hydrogen sulfate;hydron;2-methyl-3,4-dihydro-1H-isoquinoline
CID 173214818
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
4-(4-chlorophenyl)-1-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperidin-4-ol;hydrochloride
CID 3040593
7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175786107

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline (CID 158541469) is 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCC(O)(c2ccc(Cl)cc2)CC1.CN1CCc2ccccc2C1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HOOMPVDGLAXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.C10H13N/c1-14-8-6-12(15,7-9-14)10-2-4-11(13)5-3-10;1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,15H,6-9H2,1H3;2-5H,6-8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline?
4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 372.94 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 158541469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).