[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C16H22N2O — CID 107126386

IUPAC[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCc3ccccc3C2)CCN1
InChIInChI=1S/C16H22N2O/c1-12-11-18(9-8-17-12)16(19)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,17H,6-11H2,1H3/t12-,15?/m1/s1
InChIKeyRYGGDYIZJQEANN-KEKZHRQWSA-N
MW258.36 g/mol
LogP1.61
Rot. Bonds1

About [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107126386) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID107126386
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCc3ccccc3C2)CCN1
InChIInChI=1S/C16H22N2O/c1-12-11-18(9-8-17-12)16(19)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,17H,6-11H2,1H3/t12-,15?/m1/s1
InChIKeyRYGGDYIZJQEANN-KEKZHRQWSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127292
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126803
[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107125909
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580377
[3-(bromomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127697
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127326
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
(3-ethyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127094
(5R)-5-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 103806957
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 107126386) is [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is C[C@@H]1CN(C(=O)C2CCc3ccccc3C2)CCN1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is RYGGDYIZJQEANN-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-11-18(9-8-17-12)16(19)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,17H,6-11H2,1H3/t12-,15?/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107126386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).