2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol

C17H23N3O — CID 10039589

IUPAC2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol
SMILESCc1cncc2cccc(NC3CCN(CCO)CC3)c12
InChIInChI=1S/C17H23N3O/c1-13-11-18-12-14-3-2-4-16(17(13)14)19-15-5-7-20(8-6-15)9-10-21/h2-4,11-12,15,19,21H,5-10H2,1H3
InChIKeyGYFSHCOUUBGJKC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol

2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol (PubChem CID 10039589) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol
PubChem CID10039589
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol
SMILESCc1cncc2cccc(NC3CCN(CCO)CC3)c12
InChIInChI=1S/C17H23N3O/c1-13-11-18-12-14-3-2-4-16(17(13)14)19-15-5-7-20(8-6-15)9-10-21/h2-4,11-12,15,19,21H,5-10H2,1H3
InChIKeyGYFSHCOUUBGJKC-UHFFFAOYSA-N
XLogP2.41
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol (CID 10039589) is 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol is Cc1cncc2cccc(NC3CCN(CCO)CC3)c12.
What is the InChIKey of 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol?
The InChIKey is GYFSHCOUUBGJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-11-18-12-14-3-2-4-16(17(13)14)19-15-5-7-20(8-6-15)9-10-21/h2-4,11-12,15,19,21H,5-10H2,1H3.
What are the key properties of 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol?
2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 10039589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).