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

C15H20N2O — CID 65260359

IUPACpiperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESO=C(C1CNCc2ccccc21)N1CCCCC1
InChIInChI=1S/C15H20N2O/c18-15(17-8-4-1-5-9-17)14-11-16-10-12-6-2-3-7-13(12)14/h2-3,6-7,14,16H,1,4-5,8-11H2
InChIKeyDSWGMDXMPONUHA-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.89
Rot. Bonds1

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

piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (PubChem CID 65260359) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
PubChem CID65260359
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Namepiperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESO=C(C1CNCc2ccccc21)N1CCCCC1
InChIInChI=1S/C15H20N2O/c18-15(17-8-4-1-5-9-17)14-11-16-10-12-6-2-3-7-13(12)14/h2-3,6-7,14,16H,1,4-5,8-11H2
InChIKeyDSWGMDXMPONUHA-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 81121194
(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65281483
(1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260608
(1-oxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262107
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257
N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 83021312
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262533
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 107217468
(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
CID 82584286
(4-benzylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 113241095
1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)-1,4-diazepan-5-one
CID 65262352
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260455

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The IUPAC name of piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (CID 65260359) is piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is O=C(C1CNCc2ccccc21)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The InChIKey is DSWGMDXMPONUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(17-8-4-1-5-9-17)14-11-16-10-12-6-2-3-7-13(12)14/h2-3,6-7,14,16H,1,4-5,8-11H2.
What are the key properties of piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is sourced from PubChem (CID 65260359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).