(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol

C23H37NO — CID 134913482

IUPAC(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@H]1CC[C@@H]([C@H](C1)O)C(C)(C)N2CCC3=CC=CC=C3[C@H]2CC(C)C
InChIInChI=1S/C23H37NO/c1-16(2)14-21-19-9-7-6-8-18(19)12-13-24(21)23(4,5)20-11-10-17(3)15-22(20)25/h6-9,16-17,20-22,25H,10-15H2,1-5H3/t17-,20-,21+,22-/m0/s1
InChIKeyWBVBEUIEMKPDSX-MVWVFHAYSA-N
MW343.50 g/mol
LogP5.60
Rot. Bonds4

About (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol

(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 134913482) has the molecular formula C23H37NO and a molecular weight of 343.50 g/mol. Its IUPAC name is (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID134913482
Molecular FormulaC23H37NO
Molecular Weight343.50 g/mol
Exact Mass343.29
IUPAC Name(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@H]1CC[C@@H]([C@H](C1)O)C(C)(C)N2CCC3=CC=CC=C3[C@H]2CC(C)C
InChIInChI=1S/C23H37NO/c1-16(2)14-21-19-9-7-6-8-18(19)12-13-24(21)23(4,5)20-11-10-17(3)15-22(20)25/h6-9,16-17,20-22,25H,10-15H2,1-5H3/t17-,20-,21+,22-/m0/s1
InChIKeyWBVBEUIEMKPDSX-MVWVFHAYSA-N
XLogP5.60
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity432

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenyl-4-(1-piperidinyl)cyclohexanol
CID 162171
3-phenyl-3-piperidinocyclohexanol (TMS)
CID 524773
2H-Benzo(a)quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-2-(1,1-dimethylethyl)-7-phenyl-, (2S-(2-alpha,7-alpha,11b-alpha)-
CID 3053247
trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
CID 15925775
(4aS,5S,6S,8aS)-2-benzyl-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-ol
CID 44271522
(4aS,5S,6S,8aS)-2-[3-(4-tert-butylphenyl)-2-methylpropyl]-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-ol
CID 76315516
2-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexanol
CID 15925773
3-[(1S,9R,16S)-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-yl]propan-1-ol
CID 71458037
(1S,6R,8S)-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol
CID 90679137
1-Methyl-3-pentyl-2,6-diphenylpiperidin-4-ol
CID 2729780
4'-(4-Hydroxypiperidino)-4-phenylcyclohexanol
CID 162921
Cyclohexanol, 4-phenyl-4-piperidino-, hydrochloride, cis-
CID 3067066

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol (CID 134913482) is (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol is C[C@H]1CC[C@@H]([C@H](C1)O)C(C)(C)N2CCC3=CC=CC=C3[C@H]2CC(C)C.
What is the InChIKey of (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is WBVBEUIEMKPDSX-MVWVFHAYSA-N. The full InChI is InChI=1S/C23H37NO/c1-16(2)14-21-19-9-7-6-8-18(19)12-13-24(21)23(4,5)20-11-10-17(3)15-22(20)25/h6-9,16-17,20-22,25H,10-15H2,1-5H3/t17-,20-,21+,22-/m0/s1.
What are the key properties of (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol?
(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 343.50 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 134913482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).