1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol

C15H21NO — CID 65212502

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol
SMILESOC1(CN2CCc3ccccc3C2)CCCC1
InChIInChI=1S/C15H21NO/c17-15(8-3-4-9-15)12-16-10-7-13-5-1-2-6-14(13)11-16/h1-2,5-6,17H,3-4,7-12H2
InChIKeySXRZNFDAXKGCKB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.35
Rot. Bonds2

About 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol (PubChem CID 65212502) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol
PubChem CID65212502
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol
SMILESOC1(CN2CCc3ccccc3C2)CCCC1
InChIInChI=1S/C15H21NO/c17-15(8-3-4-9-15)12-16-10-7-13-5-1-2-6-14(13)11-16/h1-2,5-6,17H,3-4,7-12H2
InChIKeySXRZNFDAXKGCKB-UHFFFAOYSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559474
2-amino-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]ethanone
CID 127248082
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-ethylsulfonylpyrrolidin-3-ol
CID 124964703
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
CID 175652197
2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 167830768
4-[(4R)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxyazepane-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 124953482
3-(2-amino-1,3-thiazol-4-yl)-1-[(4S)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxyazepan-1-yl]propan-1-one
CID 124955283
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
CID 64678711
[3-(cyclopentylamino)phenyl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxypiperidin-1-yl]methanone
CID 155664933
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71930590
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine
CID 82767653
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
CID 104678682

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol (CID 65212502) is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol is OC1(CN2CCc3ccccc3C2)CCCC1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol?
The InChIKey is SXRZNFDAXKGCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15(8-3-4-9-15)12-16-10-7-13-5-1-2-6-14(13)11-16/h1-2,5-6,17H,3-4,7-12H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol?
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 65212502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).