(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol

C14H20N2O — CID 165046428

IUPAC(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
SMILESNC1CC(O)[C@@H](N2CCc3ccccc3C2)C1
InChIInChI=1S/C14H20N2O/c15-12-7-13(14(17)8-12)16-6-5-10-3-1-2-4-11(10)9-16/h1-4,12-14,17H,5-9,15H2/t12?,13-,14?/m0/s1
InChIKeyOZAQVDOFUMIHFJ-MOKVOYLWSA-N
MW232.33 g/mol
LogP0.90
Rot. Bonds1

About (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol

(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol (PubChem CID 165046428) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
PubChem CID165046428
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
SMILESNC1CC(O)[C@@H](N2CCc3ccccc3C2)C1
InChIInChI=1S/C14H20N2O/c15-12-7-13(14(17)8-12)16-6-5-10-3-1-2-4-11(10)9-16/h1-4,12-14,17H,5-9,15H2/t12?,13-,14?/m0/s1
InChIKeyOZAQVDOFUMIHFJ-MOKVOYLWSA-N
XLogP0.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,4R)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
CID 163856851
(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-dioxothiolan-3-ol
CID 98754195
(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156502217
tert-butyl N-[(1S,4S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxycyclopentyl]carbamate
CID 163807707
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxycyclopentyl] acetate
CID 168859659
bis[2-(4-aminopiperidin-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypyrrolidin-1-yl]methanone
CID 175916242
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propan-2-ylpiperidin-3-ol
CID 176799701
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 63067210
2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 62785737
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
2-(3,4-dihydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63067209
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol?
The IUPAC name of (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol (CID 165046428) is (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol?
The canonical SMILES for (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol is NC1CC(O)[C@@H](N2CCc3ccccc3C2)C1.
What is the InChIKey of (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol?
The InChIKey is OZAQVDOFUMIHFJ-MOKVOYLWSA-N. The full InChI is InChI=1S/C14H20N2O/c15-12-7-13(14(17)8-12)16-6-5-10-3-1-2-4-11(10)9-16/h1-4,12-14,17H,5-9,15H2/t12?,13-,14?/m0/s1.
What are the key properties of (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol?
(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 165046428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).