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[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

C17H24N2O2 — CID 63978237

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
SMILESCOCC1CCN(C(=O)C2NCCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O2/c1-21-12-13-7-10-19(11-8-13)17(20)16-15-5-3-2-4-14(15)6-9-18-16/h2-5,13,16,18H,6-12H2,1H3
InChIKeyUUHKFCMTPYWODB-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.76
Rot. Bonds3

About [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (PubChem CID 63978237) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
PubChem CID63978237
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
SMILESCOCC1CCN(C(=O)C2NCCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O2/c1-21-12-13-7-10-19(11-8-13)17(20)16-15-5-3-2-4-14(15)6-9-18-16/h2-5,13,16,18H,6-12H2,1H3
InChIKeyUUHKFCMTPYWODB-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (CID 63978237) is [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone is COCC1CCN(C(=O)C2NCCc3ccccc32)CC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The InChIKey is UUHKFCMTPYWODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-12-13-7-10-19(11-8-13)17(20)16-15-5-3-2-4-14(15)6-9-18-16/h2-5,13,16,18H,6-12H2,1H3.
What are the key properties of [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 63978237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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