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

C20H31NO — CID 134913481

IUPAC(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@H]1CC[C@H](C(C)(C)N2CCc3ccccc3[C@H]2C)[C@@H](O)C1
InChIInChI=1S/C20H31NO/c1-14-9-10-18(19(22)13-14)20(3,4)21-12-11-16-7-5-6-8-17(16)15(21)2/h5-8,14-15,18-19,22H,9-13H2,1-4H3/t14-,15+,18-,19-/m0/s1
InChIKeyDHPZNZQUBYTLLU-QXGSTGNESA-N
MW301.47 g/mol
LogP4.18
Rot. Bonds2

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

(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 134913481) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-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-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID134913481
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@H]1CC[C@H](C(C)(C)N2CCc3ccccc3[C@H]2C)[C@@H](O)C1
InChIInChI=1S/C20H31NO/c1-14-9-10-18(19(22)13-14)20(3,4)21-12-11-16-7-5-6-8-17(16)15(21)2/h5-8,14-15,18-19,22H,9-13H2,1-4H3/t14-,15+,18-,19-/m0/s1
InChIKeyDHPZNZQUBYTLLU-QXGSTGNESA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-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

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
4-Phenyl-4-(1-piperidinyl)cyclohexanol
CID 162171
3-phenyl-3-piperidinocyclohexanol (TMS)
CID 524773
Dexclamol
CID 91267
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
(1S,6S,8S)-6-propan-2-yl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol
CID 20055470
(R)-2-((R)-1-benzylpiperidin-2-yl)-2-phenylethanol
CID 10685307
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
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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-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-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol (CID 134913481) is (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-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-methyl-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-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol is C[C@H]1CC[C@H](C(C)(C)N2CCc3ccccc3[C@H]2C)[C@@H](O)C1.
What is the InChIKey of (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is DHPZNZQUBYTLLU-QXGSTGNESA-N. The full InChI is InChI=1S/C20H31NO/c1-14-9-10-18(19(22)13-14)20(3,4)21-12-11-16-7-5-6-8-17(16)15(21)2/h5-8,14-15,18-19,22H,9-13H2,1-4H3/t14-,15+,18-,19-/m0/s1.
What are the key properties of (1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol?
(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 301.47 g/mol, XLogP of 4.18, 2 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-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 134913481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).