2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol

C17H23N3O — CID 107227097

IUPAC2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol
SMILESNCc1cnc2ccccc2c1N1CCCC(CCO)C1
InChIInChI=1S/C17H23N3O/c18-10-14-11-19-16-6-2-1-5-15(16)17(14)20-8-3-4-13(12-20)7-9-21/h1-2,5-6,11,13,21H,3-4,7-10,12,18H2
InChIKeyYBALTIXVYUMQKX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.29
Rot. Bonds4

About 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol

2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol (PubChem CID 107227097) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol
PubChem CID107227097
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol
SMILESNCc1cnc2ccccc2c1N1CCCC(CCO)C1
InChIInChI=1S/C17H23N3O/c18-10-14-11-19-16-6-2-1-5-15(16)17(14)20-8-3-4-13(12-20)7-9-21/h1-2,5-6,11,13,21H,3-4,7-10,12,18H2
InChIKeyYBALTIXVYUMQKX-UHFFFAOYSA-N
XLogP2.29
TPSA62.38 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol (CID 107227097) is 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol is NCc1cnc2ccccc2c1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol?
The InChIKey is YBALTIXVYUMQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-10-14-11-19-16-6-2-1-5-15(16)17(14)20-8-3-4-13(12-20)7-9-21/h1-2,5-6,11,13,21H,3-4,7-10,12,18H2.
What are the key properties of 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol?
2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).