2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol

C16H19ClN2O2 — CID 133315313

IUPAC2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H19ClN2O2/c17-12-3-4-14-15(10-12)18-6-5-16(14)19-7-1-2-13(11-19)21-9-8-20/h3-6,10,13,20H,1-2,7-9,11H2
InChIKeyWQHRUKBJHODMAP-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.87
Rot. Bonds4

About 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol

2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol (PubChem CID 133315313) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
PubChem CID133315313
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H19ClN2O2/c17-12-3-4-14-15(10-12)18-6-5-16(14)19-7-1-2-13(11-19)21-9-8-20/h3-6,10,13,20H,1-2,7-9,11H2
InChIKeyWQHRUKBJHODMAP-UHFFFAOYSA-N
XLogP2.87
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
CID 133401937
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol
CID 133315310
7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
CID 63390489
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
[4-(7-chloroquinolin-4-yl)morpholin-2-yl]methanol
CID 79839533
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
1-[[1-(7-chloroquinolin-4-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56707594

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol (CID 133315313) is 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol is OCCOC1CCCN(c2ccnc3cc(Cl)ccc23)C1.
What is the InChIKey of 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol?
The InChIKey is WQHRUKBJHODMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-12-3-4-14-15(10-12)18-6-5-16(14)19-7-1-2-13(11-19)21-9-8-20/h3-6,10,13,20H,1-2,7-9,11H2.
What are the key properties of 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol?
2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol has a molecular weight of 306.79 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 133315313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).