(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone

C16H22N2O — CID 82584286

IUPAC(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
SMILESCc1ccc2c(c1)CNCC2C(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O/c1-12-5-6-14-13(9-12)10-17-11-15(14)16(19)18-7-3-2-4-8-18/h5-6,9,15,17H,2-4,7-8,10-11H2,1H3
InChIKeyHHDKZOXKVPIUGV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.19
Rot. Bonds1

About (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone

(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone (PubChem CID 82584286) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
PubChem CID82584286
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
SMILESCc1ccc2c(c1)CNCC2C(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O/c1-12-5-6-14-13(9-12)10-17-11-15(14)16(19)18-7-3-2-4-8-18/h5-6,9,15,17H,2-4,7-8,10-11H2,1H3
InChIKeyHHDKZOXKVPIUGV-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 82584648
piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584464
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
(7-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperazin-1-ylmethanone
CID 82584658
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid
CID 82584306
(3S)-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 81121194
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
(1-oxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262107
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260455
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262533

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone (CID 82584286) is (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone is Cc1ccc2c(c1)CNCC2C(=O)N1CCCCC1.
What is the InChIKey of (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is HHDKZOXKVPIUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-6-14-13(9-12)10-17-11-15(14)16(19)18-7-3-2-4-8-18/h5-6,9,15,17H,2-4,7-8,10-11H2,1H3.
What are the key properties of (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone?
(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 258.36 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 82584286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).