7-piperidin-4-yloxyisoquinoline

C14H16N2O — CID 42618152

IUPAC7-piperidin-4-yloxyisoquinoline
SMILESc1cc2ccc(OC3CCNCC3)cc2cn1
InChIInChI=1S/C14H16N2O/c1-2-14(17-13-4-7-15-8-5-13)9-12-10-16-6-3-11(1)12/h1-3,6,9-10,13,15H,4-5,7-8H2
InChIKeyAFBRTRAWQSXGHM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.37
Rot. Bonds2

About 7-piperidin-4-yloxyisoquinoline

7-piperidin-4-yloxyisoquinoline (PubChem CID 42618152) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 7-piperidin-4-yloxyisoquinoline.

Molecular Properties

Compound Name7-piperidin-4-yloxyisoquinoline
PubChem CID42618152
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name7-piperidin-4-yloxyisoquinoline
SMILESc1cc2ccc(OC3CCNCC3)cc2cn1
InChIInChI=1S/C14H16N2O/c1-2-14(17-13-4-7-15-8-5-13)9-12-10-16-6-3-11(1)12/h1-3,6,9-10,13,15H,4-5,7-8H2
InChIKeyAFBRTRAWQSXGHM-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
6-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}isoquinoline
CID 23644685
6-{5-[(2S)-2-amino-3-cyclohexylpropoxy]pyridin-3-yl}isoquinoline
CID 23647001
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yloxyisoquinoline?
The IUPAC name of 7-piperidin-4-yloxyisoquinoline (CID 42618152) is 7-piperidin-4-yloxyisoquinoline.
What is the SMILES notation for 7-piperidin-4-yloxyisoquinoline?
The canonical SMILES for 7-piperidin-4-yloxyisoquinoline is c1cc2ccc(OC3CCNCC3)cc2cn1.
What is the InChIKey of 7-piperidin-4-yloxyisoquinoline?
The InChIKey is AFBRTRAWQSXGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-14(17-13-4-7-15-8-5-13)9-12-10-16-6-3-11(1)12/h1-3,6,9-10,13,15H,4-5,7-8H2.
What are the key properties of 7-piperidin-4-yloxyisoquinoline?
7-piperidin-4-yloxyisoquinoline has a molecular weight of 228.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yloxyisoquinoline is sourced from PubChem (CID 42618152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).