3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one

C18H26N2O2 — CID 162353390

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1
InChIInChI=1S/C18H26N2O2/c21-14-15-5-3-11-20(13-15)18(22)9-12-19-10-4-7-16-6-1-2-8-17(16)19/h1-2,6,8,15,21H,3-5,7,9-14H2
InChIKeyZRVVOMWYBLFQTG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.06
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one

3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 162353390) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID162353390
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1
InChIInChI=1S/C18H26N2O2/c21-14-15-5-3-11-20(13-15)18(22)9-12-19-10-4-7-16-6-1-2-8-17(16)19/h1-2,6,8,15,21H,3-5,7,9-14H2
InChIKeyZRVVOMWYBLFQTG-UHFFFAOYSA-N
XLogP2.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 162353390) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ZRVVOMWYBLFQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-14-15-5-3-11-20(13-15)18(22)9-12-19-10-4-7-16-6-1-2-8-17(16)19/h1-2,6,8,15,21H,3-5,7,9-14H2.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 162353390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).